Summary

IMPPAT Phytochemical identifier: IMPHY015895

Phytochemical name: Phytadiene 1

Synonymous chemical names:
phytadiene

External chemical identifiers:
CID:5352800, SureChEMBL:SCHEMBL5949612

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Chemical structure information

SMILES:
C=C/C(=C/CCC(CCCC(CCCC(C)C)C)C)/C

InChI:
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,12,17,19-20H,1,8-11,13-16H2,2-6H3/b18-12+

InChIKey:
HNTNJYMWJHGCBD-LDADJPATSA-N

DeepSMILES:
C=C/C=C/CCCCCCCCCCCC)C)))))C)))))C)))))/C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Phytane diterpenoids

NP-Likeness score: 1.607

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Chemical structure download