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SCS-C003762

sinulariol C

Pathway: Terpenoids Superclass: Diterpenoids Class: Cembrane diterpenoids
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Chemical Structure

Structure of sinulariol C
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Download: SDF SMILES

Source Information

Agathosma affinis (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Sapindales Family Rutaceae Genus Agathosma Species Agathosma affinis
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Annella mollis (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Subergorgiidae Genus Annella Species Annella mollis
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Aplophyllum tenue (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Sapindales Family Rutaceae Genus Haplophyllum Species Haplophyllum tenue
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Bombax oleagineum (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Malvales Family Malvaceae Genus Bombax Species Bombax oleagineum
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Calendula arvensis (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Asterales Family Asteraceae Genus Calendula Species Calendula arvensis
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Colchicum kesselringii (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Liliopsida Order Liliales Family Colchicaceae Genus Colchicum Species Colchicum kesselringii
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Cosmos caudatus (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Asterales Family Asteraceae Genus Cosmos Species Cosmos caudatus
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Gastrolobium grandiflorum (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Fabales Family Fabaceae Genus Gastrolobium Species Gastrolobium grandiflorum
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Hippophae rhamnoides (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Rosales Family Elaeagnaceae Genus Hippophae Species Hippophae rhamnoides
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Hoppea dichotoma (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Gentianales Family Gentianaceae Genus Hoppea Species Hoppea dichotoma
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Oryctolagus cuniculus (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Metazoa Phylum Chordata Class Mammalia Order Lagomorpha Family Leporidae Genus Oryctolagus Species Oryctolagus cuniculus
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Ottonia corcovadensis (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Piperales Family Piperaceae Genus Ottonia Species Ottonia corcovadensis
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Rabdosia trichocarpa (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Lamiales Family Lamiaceae Genus Rabdosia Species Rabdosia trichocarpa
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Rhododendron simiarum (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Ericales Family Ericaceae Genus Rhododendron Species Rhododendron simiarum
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Sinularia crassa (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Sinulariidae Genus Sinularia Species Sinularia crassa
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Sinularia mayi (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Sinulariidae Genus Sinularia Species Sinularia mayi
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Sinularia rigida (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Sinulariidae Genus Sinularia Species Sinularia rigida
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron
Streptomyces refuineus (NA)
Original source name: Agathosma affinis|Annella mollis|Aplophyllum tenue|Bombax oleagineum|Calendula arvensis|Colchicum kesselringii|Cosmos caudatus|Gastrolobium grandiflorum|Hippophae rhamnoides|Hoppea dichotoma|Oryctolagus cuniculus|Ottonia corcovadensis|Rabdosia trichocarpa|Rhododendron simiarum|Sinularia crassa|Sinularia mayi|Sinularia rigida|Streptomyces refuineus
Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species Streptomyces refuineus
Sanya Bay
DOI: 10.1016/j.tet.2011.06.029  · Tetrahedron

Drug-likeness (Lipinski Ro5)

Molecular Weight
304.5 Da
Threshold ≤ 500
ALogP
4.95
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
2
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:
C20H32O2
Molecular Weight:
304.4740 Da
SMILES:
C/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC/C(CO)=C/CC1
InChIKey:
JLLBBBITYJIESU-OPFQSLALSA-N
InChI:
InChI=1S/C20H32O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h7-8,10,15,19,21H,5-6,9,11-14H2,1-4H3/b16-8+,17-7-,18-10+/t19-,20-/m0/s1
Calculated Properties
ALogP:
4.946 lipophilicity
TPSA:
32.76 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
2
Rotatable Bonds:
2
Ring Count:
2 (0 aromatic)
Chiral Centers:
2
Fsp³:
0.7000 fraction sp³ carbon

Database Information

Compound ID:
SCS-C003762
NPClassifier Pathway:
Terpenoids
NPClassifier Superclass:
Diterpenoids
NPClassifier Class:
Cembrane diterpenoids
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
PubChem ChemSpider ChEMBL
Natural product databases
COCONUT NP Atlas CMNPD: CMNPD21517

Biological Activity Data

No bioactivity data available for this compound.

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Structure enlarged