Summary

IMPPAT Phytochemical identifier: IMPHY006290

Phytochemical name: 6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-

Synonymous chemical names:
delta-tocopherol, tocopherol, delta

External chemical identifiers:
CID:586537, FDASRS:ZL0RFA4E5N, SureChEMBL:SCHEMBL2908170

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Chemical structure information

SMILES:
CC(CCCC1(C)CCc2c(O1)c(C)cc(c2)O)CCCC(CCCC(C)C)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)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3

InChIKey:
GZIFEOYASATJEH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)CCccO6)cC)ccc6)O))))))))))))CCCCCCCCC)C)))))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: Quinone and hydroquinone lipids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Prenyl quinone meroterpenoids

NP-Likeness score: 1.643

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Chemical structure download