SCS-C007748

rhodomonasterol B

Pathway: Terpenoids Superclass: Steroids Class: Androstane steroids

Chemical Structure

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Source Information

Rhodomonas sp. (NA)

Kingdom NA Phylum NA Class Cryptophyceae Order Pyrenomonadales Family Pyrenomonadaceae Genus Rhodomonas Species Rhodomonas sp.

South China Sea

DOI: 10.1002/cbdv.202501291 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

314.4 Da

Threshold ≤ 500

ALogP

2.01

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H22O4

Molecular Weight:

314.3810 Da

SMILES:

C[C@]12C[C@H](O)[C@@]3(O)C(=C1CCC2=O)C=CC1=CC(=O)CC[C@@]13C

InChIKey:

                        YOZDWXSFHHQRSQ-VJANTYMQSA-N
                        
                    

InChI:

InChI=1S/C19H22O4/c1-17-10-16(22)19(23)14(13(17)5-6-15(17)21)4-3-11-9-12(20)7-8-18(11,19)2/h3-4,9,16,22-23H,5-8,10H2,1-2H3/t16-,17-,18-,19-/m0/s1

Calculated Properties

ALogP:

2.013 lipophilicity

TPSA:

74.60 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (0 aromatic)

Chiral Centers:

Fsp³:

0.5789 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007748

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Steroids

NPClassifier Class:

Androstane steroids

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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