Summary

IMPPAT Phytochemical identifier: IMPHY007457

Phytochemical name: eta-Tocopherol

Synonymous chemical names:
7-methyltocol

External chemical identifiers:
CID:9887390, FDASRS:7NW19FA2G7, SureChEMBL:SCHEMBL2322421

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Chemical structure information

SMILES:
CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)cc(c(c2)O)C

InChI:
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3

InChIKey:
PZZKGQBMBVYPGR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC)C)))))C)))))CCCCC)CCccO6)cccc6)O))C

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCO2

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 1.394

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Chemical structure download