Summary

IMPPAT Phytochemical identifier: IMPHY012949

Phytochemical name: Junenol

Synonymous chemical names:
(+)-junenol, junenol

External chemical identifiers:
CID:6452077, ZINC:ZINC000033986117, FDASRS:Z3209PC5TC

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Chemical structure information

SMILES:
C=C1CCC[C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(C)C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1

InChIKey:
MSJJKJCIFIGTJY-LJISPDSOSA-N

DeepSMILES:
C=CCCC[C@][C@H]6[C@@H]O)[C@@H]CC6))CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 2.978

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Chemical structure download