SCS-C005568

7R-hydroxymucidone

Pathway: Polyketides Superclass: Cyclic polyketides Class: 2-pyrone derivatives

Chemical Structure

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Source Information

Nocardiopsis sp. (marine-derived Nocardiopsis strain)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Streptosporangiales Family Nocardiopsidaceae Genus Nocardiopsis Species NA

Beibu Gulf

Drug-likeness (Lipinski Ro5)

Molecular Weight

196.2 Da

Threshold ≤ 500

ALogP

1.89

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C11H16O3

Molecular Weight:

196.2460 Da

SMILES:

CC(C)Cc1ccc([C@@H](C)O)oc1=O

InChIKey:

                        SGBVQGMWPRFHKS-MRVPVSSYSA-N
                        
                    

InChI:

InChI=1S/C11H16O3/c1-7(2)6-9-4-5-10(8(3)12)14-11(9)13/h4-5,7-8,12H,6H2,1-3H3/t8-/m1/s1

Calculated Properties

ALogP:

1.892 lipophilicity

TPSA:

50.44 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.5455 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005568

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Cyclic polyketides

NPClassifier Class:

2-pyrone derivatives

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD27272

Biological Activity Data

No bioactivity data available for this compound.

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