SCS-C007703

sartrocheliol G

Pathway: Terpenoids Superclass: Diterpenoids Class: Cembrane diterpenoids

Chemical Structure

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Source Information

Sarcophyton trocheliophorum (NA)

Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Alcyoniidae Genus Sarcophyton Species Sarcophyton trocheliophorum

South China Sea · -20 m

DOI: 10.1002/cbdv.202503422 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

318.5 Da

Threshold ≤ 500

ALogP

5.50

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C21H34O2

Molecular Weight:

318.5010 Da

SMILES:

COC(C)(C)/C1=C/C=C(\C)CC/C=C(\C)CC(O)/C=C(\C)CC1

InChIKey:

                        VLEPYFFUFDGIAP-TXYIBWNXSA-N
                        
                    

InChI:

InChI=1S/C21H34O2/c1-16-8-7-9-17(2)14-20(22)15-18(3)11-13-19(12-10-16)21(4,5)23-6/h9-10,12,15,20,22H,7-8,11,13-14H2,1-6H3/b16-10+,17-9+,18-15+,19-12+

Calculated Properties

ALogP:

5.502 lipophilicity

TPSA:

29.46 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.6190 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007703

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Cembrane diterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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