Summary

IMPPAT Phytochemical identifier: IMPHY017131

Phytochemical name: Pseudowiddrene

Synonymous chemical names:
pseudowiddrene

External chemical identifiers:
CID:15409431, ZINC:ZINC000085811770

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Chemical structure information

SMILES:
CC1=CC[C@@]2(C(=CCCC2(C)C)CC1)C

InChI:
InChI=1S/C15H24/c1-12-7-8-13-6-5-10-14(2,3)15(13,4)11-9-12/h6,9H,5,7-8,10-11H2,1-4H3/t15-/m1/s1

InChIKey:
HIGJBMFZAPBLEG-OAHLLOKOSA-N

DeepSMILES:
CC=CC[C@@]C=CCCC6C)C)))))CC7)))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Cuparane sesquiterpenoids

NP-Likeness score: 2.725

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Chemical structure download