SCS-C000877

9(R)-ganodermanol B

Pathway: Terpenoids Superclass: Sesquiterpenoids Class: Guaiane sesquiterpenoids

Chemical Structure

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Source Information

Streptomyces sp. SCSIO 40020 (bacterium)

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

Pearl River Estuary · 28 m · E 114.0432°, N 22.0194°

DOI: 10.3390/md20070449 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

238.4 Da

Threshold ≤ 500

ALogP

2.99

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H26O2

Molecular Weight:

238.3600 Da

SMILES:

C[C@H]1CC[C@@H]2[C@H]3[C@H]1OC(C)(C)[C@@H]3CC[C@@]2(C)O

InChIKey:

                        ADBBBTOFKUSIAE-CSWWBCRBSA-N
                        
                    

InChI:

InChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,15+/m0/s1

Calculated Properties

ALogP:

2.987 lipophilicity

TPSA:

29.46 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

1.0000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000877

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesquiterpenoids

NPClassifier Class:

Guaiane sesquiterpenoids

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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