Summary

IMPPAT Phytochemical identifier: IMPHY007033

Phytochemical name: Prezizaene

Synonymous chemical names:
prezizaene

External chemical identifiers:
CID:73950880, ZINC:ZINC000059778874

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Chemical structure information

SMILES:
C[C@H]1CC[C@H]2[C@@]31CC[C@H](C3)C(=C)C2(C)C

InChI:
InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15-/m0/s1

InChIKey:
RFSYBMDOYOBTCL-ZGFBFQLVSA-N

DeepSMILES:
C[C@H]CC[C@H][C@]5CC[C@H]C5)C=C)C7C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCCC23CCC1C3

Scaffold Graph/Node level:
CC1CC2CCCC23CCC1C3

Scaffold Graph level:
CC1CC2CCCC23CCC1C3

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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: Prezizaane sesquiterpenoids

NP-Likeness score: 3.25

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Chemical structure download