Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008248

Phytochemical name: Dalpalatin

Synonymous chemical names:
Dalpalatin, dalpalatin

External chemical identifiers:
CID:CID_14542772, ZINC:ZINC000014437417

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Chemical structure information

SMILES:
COc1cc2OCOc2cc1c1coc2c(c1=O)c(O)c(c(c2)O)OC

InChI:
InChI=1S/C18H14O8/c1-22-11-5-13-12(25-7-26-13)3-8(11)9-6-24-14-4-10(19)18(23-2)17(21)15(14)16(9)20/h3-6,19,21H,7H2,1-2H3

InChIKey:
ZQPQGJMTUGTCFU-UHFFFAOYSA-N

DeepSMILES:
COcccOCOc5cc9ccoccc6=O))cO)ccc6)O))OC

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

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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: 1.454

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Chemical structure download