Summary

IMPPAT Phytochemical identifier: IMPHY011641

Phytochemical name: (+)-alpha-Gurjunene

Synonymous chemical names:
gurjunene

External chemical identifiers:
CID:15560275, ChEBI:132832, ZINC:ZINC000059200504

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Chemical structure information

SMILES:
C[C@H]1CC[C@H]2[C@@H](C3=C(CC[C@@H]13)C)C2(C)C

InChI:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m0/s1

InChIKey:
SPCXZDDGSGTVAW-HVTMNAMFSA-N

DeepSMILES:
C[C@H]CC[C@H][C@@H]C=CCC[C@@H]%105)))C)))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1)CCCC1CC21

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.686

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Chemical structure download