Summary

IMPPAT Phytochemical identifier: IMPHY008512

Phytochemical name: Maxima isoflavone A

Synonymous chemical names:
maxima isoflavone a

External chemical identifiers:
CID:343079, ChEMBL:CHEMBL2007581

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Chemical structure information

SMILES:
O=c1c(coc2c1ccc1c2OCO1)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C17H10O6/c18-15-10-2-4-13-17(23-8-21-13)16(10)19-6-11(15)9-1-3-12-14(5-9)22-7-20-12/h1-6H,7-8H2

InChIKey:
HDEHMKSXXSBSHM-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccc6OCO5)))))))))))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)OCO3)coc2c3c(ccc12)OCO3

Scaffold Graph/Node level:
OC1C(C2CCC3OCOC3C2)COC2C1CCC1OCOC12

Scaffold Graph level:
CC1C(C2CCC3CCCC3C2)CCC2C3CCCC3CCC12

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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: 0.711

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Chemical structure download