Summary

IMPPAT Phytochemical identifier: IMPHY005380

Phytochemical name: Hymenoxin

Synonymous chemical names:
hymenoxin, hymenoxin (5,7-dihydroxy-6,8,3',4'-tetramethoxyflavone), hymenoxin (5,7-dihydroxy-6,8,3’,4’-tetramethoxyflavone)

External chemical identifiers:
CID:171488, ChEMBL:CHEMBL504325, ChEBI:175802, SureChEMBL:SCHEMBL1764664

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Chemical structure information

SMILES:
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O

InChI:
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3

InChIKey:
QCOSAYZZNVASNN-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))))ccc=O)cco6)cOC))ccc6O))OC)))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.144

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Chemical structure download