Summary

IMPPAT Phytochemical identifier: IMPHY007868

Phytochemical name: Dalspinin

Synonymous chemical names:
dalspinin, dalspinin (5,7-dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone)

External chemical identifiers:
CID:5323563

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C17H12O7/c1-21-17-10(18)5-13-14(16(17)20)15(19)9(6-22-13)8-2-3-11-12(4-8)24-7-23-11/h2-6,18,20H,7H2,1H3

InChIKey:
JPTHUHXDIAJESU-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6O))c=O)cco6))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCOC3C2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.324

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Chemical structure download