SCS-C003095

cyclizidine C

Pathway: Alkaloids Superclass: Lysine alkaloids Class: Indolizidine alkaloids

Chemical Structure

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Source Information

Streptomyces sp. (bacterium)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species NA

Hainan Island

DOI: 10.1021/acs.jnatprod.7b01055 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

309.4 Da

Threshold ≤ 500

ALogP

0.19

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C17H27NO4

Molecular Weight:

309.4060 Da

SMILES:

CC(/C=C/C1CC1)=C\[C@H]1[C@H](O)[C@@](C)(O)[C@H]2[C@H](O)[C@@H](O)CCN12

InChIKey:

                        ZKDRGUVGLKBOFL-FENXDROVSA-N
                        
                    

InChI:

InChI=1S/C17H27NO4/c1-10(3-4-11-5-6-11)9-12-16(21)17(2,22)15-14(20)13(19)7-8-18(12)15/h3-4,9,11-16,19-22H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13-,14+,15+,16-,17-/m0/s1

Calculated Properties

ALogP:

0.189 lipophilicity

TPSA:

84.16 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.7647 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003095

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Lysine alkaloids

NPClassifier Class:

Indolizidine alkaloids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD30156

Biological Activity Data

No bioactivity data available for this compound.

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