SCS-C003264

cyclizidine F

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

288.4 Da

Threshold ≤ 500

ALogP

1.72

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C17H22NO3+

Molecular Weight:

288.3670 Da

SMILES:

CC(/C=C/C1CC1)=C\[C@H]1[C@H](O)[C@@](C)(O)c2c(O)ccc[n+]21

InChIKey:

                        CWTAZIDCTOHCNT-RQAZKBLZSA-O
                        
                    

InChI:

InChI=1S/C17H21NO3/c1-11(5-6-12-7-8-12)10-13-16(20)17(2,21)15-14(19)4-3-9-18(13)15/h3-6,9-10,12-13,16,20-21H,7-8H2,1-2H3/p+1/b6-5+,11-10+/t13-,16-,17-/m0/s1

Calculated Properties

ALogP:

1.715 lipophilicity

TPSA:

64.57 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.4706 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003264

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: CMNPD30159

Biological Activity Data

No bioactivity data available for this compound.

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