Summary

IMPPAT Phytochemical identifier: IMPHY013391

Phytochemical name: 2'-Hydroxypiscerythrinetin

Synonymous chemical names:
2'-hydroxypiscerythrinetin

External chemical identifiers:
CID:44257316, ZINC:ZINC000014648427

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Chemical structure information

SMILES:
COc1cc(c(c(c1OC)CC=C(C)C)O)c1coc2c(c1=O)c(O)cc(c2)O

InChI:
InChI=1S/C22H22O7/c1-11(2)5-6-13-20(25)14(9-18(27-3)22(13)28-4)15-10-29-17-8-12(23)7-16(24)19(17)21(15)26/h5,7-10,23-25H,6H2,1-4H3

InChIKey:
VLMKVYMUJPHEQB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))CC=CC)C)))))O))ccoccc6=O))cO)ccc6)O

Functional groups:
CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.972

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Chemical structure download