SCS-C008068

apigenin

Pathway: Shikimates and Phenylpropanoids Superclass: Flavonoids Class: Flavones

Chemical Structure

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Source Information

Sargassum polycystum (NA)

Kingdom NA Phylum Ochrophyta Class Phaeophyceae Order Fucales Family Sargassaceae Genus Sargassum Species Sargassum polycystum

South China Sea · 110°51′48′′E, 31′16′′N

DOI: 10.1111/1750-3841.16051 · Journal of Food Science

Drug-likeness (Lipinski Ro5)

Molecular Weight

270.2 Da

Threshold ≤ 500

ALogP

2.58

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H10O5

Molecular Weight:

270.2400 Da

SMILES:

O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

InChIKey:

                        KZNIFHPLKGYRTM-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

Calculated Properties

ALogP:

2.577 lipophilicity

TPSA:

90.90 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.0000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008068

NPClassifier Pathway:

Shikimates and Phenylpropanoids

NPClassifier Superclass:

Flavonoids

NPClassifier Class:

Flavones

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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