Summary

IMPPAT Phytochemical identifier: IMPHY004723

Phytochemical name: Desmocarpin

Synonymous chemical names:
desmocarpin

External chemical identifiers:
CID:44257475

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)OCC1C2Oc2c1ccc(c2)O

InChI:
InChI=1S/C16H14O5/c1-19-9-5-12(18)15-14(6-9)20-7-11-10-3-2-8(17)4-13(10)21-16(11)15/h2-6,11,16-18H,7H2,1H3

InChIKey:
WEVPCLOHVKGGEZ-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)OCCC6Occ5cccc6)O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 2.168

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Chemical structure download