Summary

IMPPAT Phytochemical identifier: IMPHY001941

Phytochemical name: Sativene

Synonymous chemical names:
sativene

External chemical identifiers:
CID:11830550, ChEBI:64800, ZINC:ZINC000087528989

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Chemical structure information

SMILES:
CC([C@H]1CC[C@@]2([C@@H]3[C@H]1[C@@H](CC3)C2=C)C)C

InChI:
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14?,15+/m1/s1

InChIKey:
VOBBUADSYROGAT-FJOZMYMESA-N

DeepSMILES:
CC[C@H]CC[C@@][C@@H][C@H]6[C@@H]CC5))C5=C)))))C)))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCC3C1CCCC23

Scaffold Graph/Node level:
CC1C2CCC3C1CCCC23

Scaffold Graph level:
CC1C2CCC3C1CCCC23

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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: Copacamphane sesquiterpenoids

NP-Likeness score: 2.798

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Chemical structure download