Summary

IMPPAT Phytochemical identifier: IMPHY000121

Phytochemical name: Neophytadiene

Synonymous chemical names:
neophytadiene, neophytadiene (isomer2)

External chemical identifiers:
CID:10446, ChEBI:145817, FDASRS:HL3QFB56FB, SureChEMBL:SCHEMBL5949551, MolPort-006-395-334

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Chemical structure information

SMILES:
C=CC(=C)CCCC(CCCC(CCCC(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/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3

InChIKey:
NIDGCIPAMWNKOA-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCCCCCCCCCCCC)C)))))C)))))C

Functional groups:
C=CC(=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: 1.365

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Chemical structure download