Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003938

Phytochemical name: Salsolene oxide

Synonymous chemical names:
Salsolene oxide, salsolene oxide

External chemical identifiers:
CID:CID_11063978

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Chemical structure information

SMILES:
CC1=C[C@@H]2C[C@]3([C@@H](CC1)O3)CC[C@H]2C(C)C

InChI:
InChI=1S/C15H24O/c1-10(2)13-6-7-15-9-12(13)8-11(3)4-5-14(15)16-15/h8,10,12-14H,4-7,9H2,1-3H3/b11-8-/t12-,13+,14-,15+/m1/s1

InChIKey:
ZBBZNJBCTBFTGY-PTYCDIIJSA-N

DeepSMILES:
CC=C[C@@H]C[C@][C@@H]CC8))O3))CC[C@H]6CC)C

Functional groups:
CC(=CC)C, C[C@H]1O[C@]1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC3(C2)OC3CC1

Scaffold Graph/Node level:
C1CCC2OC23CCCC(C1)C3

Scaffold Graph level:
C1CCC2CC23CCCC(C1)C3

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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: Cadinane sesquiterpenoids

NP-Likeness score: 2.912

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Chemical structure download