Summary

IMPPAT Phytochemical identifier: IMPHY012712

Phytochemical name: Phytol

Synonymous chemical names:
( e)-phytol, (e)-phytol, phytol, phytol*, phytol,, trans phytol, trans-phytol

External chemical identifiers:
CID:5280435, ChEMBL:CHEMBL1644111, ChEBI:17327, ZINC:ZINC000003861087, FDASRS:MZQ4XE15TP, SureChEMBL:SCHEMBL22783, MolPort-019-992-228

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Chemical structure information

SMILES:
OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C

InChI:
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1

InChIKey:
BOTWFXYSPFMFNR-PYDDKJGSSA-N

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

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

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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: Diterpenoids

NP Classifier Class: Phytane diterpenoids

NP-Likeness score: 1.532

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Chemical structure download