Summary

IMPPAT Phytochemical identifier: IMPHY001382

Phytochemical name: 1-[(3aS,4S,5S,7aR)-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanone

Synonymous chemical names:
faurinone

External chemical identifiers:
CID:102577163, ZINC:ZINC000231158477

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Chemical structure information

SMILES:
CC(=O)[C@H]1[C@@H](CC[C@@]2([C@H]1CCC2)C)C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3/t12-,13-,14-,15+/m0/s1

InChIKey:
SSCVGFQOFLDIGI-ZQDZILKHSA-N

DeepSMILES:
CC=O)[C@H][C@@H]CC[C@@][C@H]6CCC5))))C))))CC)C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Iphionane sesquiterpenoids, Isodaucane sesquiterpenoids, Oplopane sesquiterpenoids

NP-Likeness score: 1.887

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Chemical structure download