Summary

IMPPAT Phytochemical identifier: IMPHY016853

Phytochemical name: Selina-6-en-4-ol

Synonymous chemical names:
selina-6-en-4-ol

External chemical identifiers:
CID:527220

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Chemical structure information

SMILES:
CC(C1=CC2C(CC1)(C)CCCC2(C)O)C

InChI:
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10-11,13,16H,5-9H2,1-4H3

InChIKey:
PBGYWCDUYHJYFV-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCCC6))C)CCCC6C)O)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

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: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.289

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Chemical structure download