SCS-C004892

perangustol B

Pathway: Polyketides Superclass: Chromanes Class: Azaphilones

Chemical Structure

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Source Information

Cladosporium perangustum (NA)

Kingdom Fungi Phylum Ascomycota Class Dothideomycetes Order Cladosporiales Family Cladosporiaceae Genus Cladosporium Species Cladosporium perangustum

South China Sea

DOI: 10.1080/10286020.2016.1181623 · Journal of Asian Natural Products Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

210.2 Da

Threshold ≤ 500

ALogP

0.16

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C11H14O4

Molecular Weight:

210.2290 Da

SMILES:

CC1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@H]2CO1

InChIKey:

                        OFLQNOVREAGOBE-JMJZKYOTSA-N
                        
                    

InChI:

InChI=1S/C11H14O4/c1-6-3-7-4-9(12)11(2,14)10(13)8(7)5-15-6/h3-4,8,10,13-14H,5H2,1-2H3/t8-,10+,11+/m0/s1

Calculated Properties

ALogP:

0.158 lipophilicity

TPSA:

66.76 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.5455 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004892

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Azaphilones

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD27386

Biological Activity Data

No bioactivity data available for this compound.

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