Summary

IMPPAT Phytochemical identifier: IMPHY016604

Phytochemical name: Cyperadiene

Synonymous chemical names:
cyperadiene

External chemical identifiers:
CID:91750187

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Chemical structure information

SMILES:
C=C1C=CC23C1CC(C3(C)C)CC[C@H]2C

InChI:
InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-13H,1,5-6,9H2,2-4H3/t11-,12?,13?,15?/m1/s1

InChIKey:
KZABVHBACHSSNR-PEGDAGBESA-N

DeepSMILES:
C=CC=CCC5CCC5C)C))CC[C@H]7C

Functional groups:
C=C1C=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC23CCCC(CC12)C3

Scaffold Graph/Node level:
CC1CCC23CCCC(CC12)C3

Scaffold Graph level:
CC1CCC23CCCC(CC12)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Patchoulane sesquiterpenoids

NP-Likeness score: 3.146

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Chemical structure download