SCS-C005285

7-hydroxyjanthinone

Pathway: Polyketides Superclass: Xanthones Class: Methyl xanthones

Chemical Structure

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Source Information

Penicillium sp. (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Penicillium Species NA

Hong Kong

DOI: 10.1177/1934578x0900401108 · Natural Product Communications

Drug-likeness (Lipinski Ro5)

Molecular Weight

300.3 Da

Threshold ≤ 500

ALogP

2.03

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C16H12O6

Molecular Weight:

300.2660 Da

SMILES:

COc1c(O)ccc2c(=O)oc3cc(C)cc(O)c3c(=O)c12

InChIKey:

                        VNVIIHHARDJLGT-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C16H12O6/c1-7-5-10(18)13-11(6-7)22-16(20)8-3-4-9(17)15(21-2)12(8)14(13)19/h3-6,17-18H,1-2H3

Calculated Properties

ALogP:

2.035 lipophilicity

TPSA:

96.97 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.1250 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005285

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Xanthones

NPClassifier Class:

Methyl xanthones

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD18810

Biological Activity Data

No bioactivity data available for this compound.

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