Summary

IMPPAT Phytochemical identifier: IMPHY001499

Phytochemical name: Heterophylol

Synonymous chemical names:
heterophylol

External chemical identifiers:
CID:15227962, ChEBI:176014

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Chemical structure information

SMILES:
COc1cc(OC)c(c2c1CC1c3ccc(cc3OC(C1C2)(C)C)O)CC=C(C)C

InChI:
InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3

InChIKey:
VDNFSSVVXBUKRX-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6CCcccccc6OCC%10C%14))C)C)))))O)))))))))CC=CC)C

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1COc3ccccc3C1C2

Scaffold Graph/Node level:
C1CCC2CC3C(COC4CCCCC43)CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Meroterpenoids, Stilbenoids

NP Classifier Class: Cannabinoids, Monomeric stilbenes

NP-Likeness score: 1.953

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Chemical structure download