Summary

IMPPAT Phytochemical identifier: IMPHY006692

Phytochemical name: 2-Methyl-6-phytylquinol

Synonymous chemical names:
6-phytyltoluquinol

External chemical identifiers:
CID:71768135, ChEBI:75920

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Chemical structure information

SMILES:
C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/Cc1cc(O)cc(c1O)C)/C

InChI:
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+/t21-,22-/m1/s1

InChIKey:
GTWCNYRFOZKWTL-UOFXASEASA-N

DeepSMILES:
C[C@H]CCC[C@@H]CCCCC)C)))))C)))))CCC/C=C/CcccO)ccc6O))C))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Prenyl quinone meroterpenoids

NP-Likeness score: 1.513

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Chemical structure download