Summary

IMPPAT Phytochemical identifier: IMPHY016714

Phytochemical name: Juneol

Synonymous chemical names:
juneol

External chemical identifiers:
CID:91748550

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@@H]2[C@]([C@H]1O)(C)C(=C)CCC2)C

InChI:
InChI=1S/C15H26O/c1-10(2)13-9-8-12-7-5-6-11(3)15(12,4)14(13)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+/m1/s1

InChIKey:
WVGOZCUPNULHAM-QPSCCSFWSA-N

DeepSMILES:
CC[C@@H]CC[C@@H][C@][C@H]6O))C)C=C)CCC6)))))))))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: Germacrane sesquiterpenoids

NP-Likeness score: 2.38

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Chemical structure download