Summary

IMPPAT Phytochemical identifier: IMPHY015958

Phytochemical name: Torilenol

Synonymous chemical names:
torilenol

External chemical identifiers:
CID:91747180

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Chemical structure information

SMILES:
C=C1CC[C@H]([C@@]2([C@H]1C1C(C1C(C)C)C2)C)O

InChI:
InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10?,11-,12?,13?,14-,15-/m1/s1

InChIKey:
WVVFQZGQVPKOMT-PCQKMURISA-N

DeepSMILES:
C=CCC[C@H][C@@][C@H]6CCC3CC)C)))C5))))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC3CC3C12

Scaffold Graph/Node level:
CC1CCCC2CC3CC3C12

Scaffold Graph level:
CC1CCCC2CC3CC3C12

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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: Copaane sesquiterpenoids

NP-Likeness score: 2.922

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Chemical structure download