Summary

IMPPAT Phytochemical identifier: IMPHY014430

Phytochemical name: (1Z)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol

Synonymous chemical names:
gnetulin

External chemical identifiers:
CID:49843576, MolPort-039-338-683

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Chemical structure information

SMILES:
COc1cc(ccc1O)/C=C/1c2cc(O)cc(c2C(C1c1cc(O)cc(c1)O)c1ccc(c(c1)OC)O)O

InChI:
InChI=1S/C30H26O8/c1-37-26-8-15(3-5-23(26)34)7-21-22-13-20(33)14-25(36)30(22)29(16-4-6-24(35)27(11-16)38-2)28(21)17-9-18(31)12-19(32)10-17/h3-14,28-29,31-36H,1-2H3/b21-7+

InChIKey:
YUGHGAXRXHODHK-QPSGOUHRSA-N

DeepSMILES:
COcccccc6O))))/C=CcccO)ccc6CC9cccO)ccc6)O)))))))cccccc6)OC)))O)))))))O

Functional groups:
c/C=C(c)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=C1c2ccccc2C(c2ccccc2)C1c1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CC2C3CCCCC3C(C3CCCCC3)C2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2C3CCCCC3C(C3CCCCC3)C2C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Oligomeric stibenes

NP-Likeness score: 1.023

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Chemical structure download