Summary

IMPPAT Phytochemical identifier: IMPHY013686

Phytochemical name: Licarin C

Synonymous chemical names:
licarin c

External chemical identifiers:
CID:131751410, ChEBI:175771

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Chemical structure information

SMILES:
C/C=Cc1cc(OC)c2c(c1)C(C)C(O2)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C22H26O5/c1-7-8-14-9-16-13(2)20(27-21(16)17(10-14)23-3)15-11-18(24-4)22(26-6)19(12-15)25-5/h7-13,20H,1-6H3/b8-7-

InChIKey:
GPTWTKZDAAYJRN-FPLPWBNLSA-N

DeepSMILES:
C/C=CcccOC))ccc6)CC)CO5)cccOC))ccc6)OC)))OC

Functional groups:
c/C=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2Cc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 1.429

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Chemical structure download