Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000841

Phytochemical name: (-)-Cyperene

Synonymous chemical names:
Cyperene, cyperene i, cyperene I, cyperene, (-)-Cyperene

External chemical identifiers:
CID:CID_12308843, SureChEMBL:SCHEMBL2693066

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Chemical structure information

SMILES:
CC1=C2C[C@@H]3C([C@@]2(CC1)[C@H](C)CC3)(C)C

InChI:
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m1/s1

InChIKey:
RTBLDXVIGWSICW-JMSVASOKSA-N

DeepSMILES:
CC=CC[C@@H]C[C@@]5CC8))[C@H]C)CC6))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC3CCCC2(CC1)C3

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Patchoulane sesquiterpenoids

NP-Likeness score: 3.403

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Chemical structure download