Summary

IMPPAT Phytochemical identifier: IMPHY004724

Phytochemical name: Lathycarpin

Synonymous chemical names:
lathycarpin

External chemical identifiers:
CID:44257491

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Chemical structure information

SMILES:
COc1cc2OCC3(C(c2cc1OC)Oc1c3cc2c(c1)OCO2)O

InChI:
InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3

InChIKey:
OPUNZSMLSXSMJN-UHFFFAOYSA-N

DeepSMILES:
COcccOCCCc6cc%10OC)))))Occ5cccc6)OCO5))))))))))O

Functional groups:
CO, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)OCC1C3CC4OCOC4CC3OC21

Scaffold Graph level:
C1CC2CC3CC4C5CCCCC5CCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 1.75

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Chemical structure download