Summary

IMPPAT Phytochemical identifier: IMPHY017014

Phytochemical name: Ziza-5-en-12-ol

Synonymous chemical names:
ziza-5-en-12-ol

External chemical identifiers:
CID:12311065

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Chemical structure information

SMILES:
OC[C@H]1CCC2=C(C([C@H]3C[C@@]12CC3)(C)C)C

InChI:
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-12,16H,4-9H2,1-3H3/t11-,12-,15+/m1/s1

InChIKey:
VBWJNOSNXFRVTL-JMSVASOKSA-N

DeepSMILES:
OC[C@H]CCC=CC[C@H]C[C@@]96CC5)))))C)C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC23CCC(C1)C3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph level:
C1CC2CCC3CCC2(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: Zizaane sesquiterpenoids

NP-Likeness score: 2.443

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Chemical structure download