SCS-C003022

cyclizidine G

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

295.4 Da

Threshold ≤ 500

ALogP

1.61

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C17H29NO3

Molecular Weight:

295.4230 Da

SMILES:

C/C(=C\C=C\CCO)C[C@H]1[C@H](O)[C@@](C)(O)[C@H]2CCCCN12

InChIKey:

                        CCWBQLZOTVKFAJ-USNSYDTGSA-N
                        
                    

InChI:

InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3/b4-3+,13-8+/t14-,15+,16-,17-/m0/s1

Calculated Properties

ALogP:

1.610 lipophilicity

TPSA:

63.93 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.7647 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003022

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: CMNPD30160

Biological Activity Data

No bioactivity data available for this compound.

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