Summary

IMPPAT Phytochemical identifier: IMPHY011504

Phytochemical name: 2-Methyl-2-phytyl-6-chromanol

Synonymous chemical names:
2-methyl-2-phytyl-6-chromanol

External chemical identifiers:
CID:9865117, FDASRS:S2XEE7OB8X, SureChEMBL:SCHEMBL74101

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Chemical structure information

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

InChI:
InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3

InChIKey:
DFUSDJMZWQVQSF-UHFFFAOYSA-N

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

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: 1.409

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Chemical structure download