Summary

IMPPAT Phytochemical identifier: IMPHY008932

Phytochemical name: Dalbergioidin

Synonymous chemical names:
2,4,5,7-tetrahydroxyisoflavanone, 5,7,2',4'-tetrahydroxyisoflavanone, dalbergiodin, dalbergioiden, dalbergioidin

External chemical identifiers:
CID:181994, ChEBI:65, MolPort-039-141-920

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C1COc2c(C1=O)c(O)cc(c2)O

InChI:
InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2

InChIKey:
WNHXBLZBOWXNQO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))CCOccC6=O))cO)ccc6)O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

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: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.956

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Chemical structure download