Summary

IMPPAT Phytochemical identifier: IMPHY003554

Phytochemical name: Latifolin

Synonymous chemical names:
latifolin

External chemical identifiers:
CID:340211, ChEMBL:CHEMBL2397757, SureChEMBL:SCHEMBL9418029

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Chemical structure information

SMILES:
C=C[C@H](c1ccccc1O)c1cc(O)c(cc1OC)OC

InChI:
InChI=1S/C17H18O4/c1-4-11(12-7-5-6-8-14(12)18)13-9-15(19)17(21-3)10-16(13)20-2/h4-11,18-19H,1H2,2-3H3/t11-/m1/s1

InChIKey:
OJVQOGDGFIJYPN-LLVKDONJSA-N

DeepSMILES:
C=C[C@H]cccccc6O)))))))cccO)ccc6OC))))OC

Functional groups:
C=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamoyl phenols

NP-Likeness score: 0.966

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Chemical structure download