Summary

IMPPAT Phytochemical identifier: IMPHY017578

Phytochemical name: Squamulosone

Synonymous chemical names:
squamulosone

External chemical identifiers:
CID:636442

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Chemical structure information

SMILES:
C[C@@H]1CCC2=C(C)C(=O)C[C@@H]3[C@H]([C@H]12)C3(C)C

InChI:
InChI=1S/C15H22O/c1-8-5-6-10-9(2)12(16)7-11-14(13(8)10)15(11,3)4/h8,11,13-14H,5-7H2,1-4H3/t8-,11-,13-,14-/m1/s1

InChIKey:
FUIPJCVSKAWFTI-KLPZLMTLSA-N

DeepSMILES:
C[C@@H]CCC=CC)C=O)C[C@@H][C@H][C@H]%107)C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCC2C2CC2C1

Scaffold Graph/Node level:
OC1CC2CCCC2C2CC2C1

Scaffold Graph level:
CC1CC2CCCC2C2CC2C1

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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: 2.919

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Chemical structure download