Summary

IMPPAT Phytochemical identifier: IMPHY017222

Phytochemical name: Cedrene, acetyl

Synonymous chemical names:
acetyl cedrene

External chemical identifiers:
CID:225700

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Chemical structure information

SMILES:
CC(=O)C1=C(C)C2C(C1)(C)C1CC(C2)(C1(C)C)C

InChI:
InChI=1S/C17H26O/c1-10-12(11(2)18)7-17(6)13(10)8-16(5)9-14(17)15(16,3)4/h13-14H,7-9H2,1-6H3

InChIKey:
JWDJXTIVABYRID-UHFFFAOYSA-N

DeepSMILES:
CC=O)C=CC)CCC5)C)CCCC6)C4C)C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3CC(C3)C2C1

Scaffold Graph/Node level:
C1CC2CC3CC(C3)C2C1

Scaffold Graph level:
C1CC2CC3CC(C3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Thapsane sesquiterpenoids

NP-Likeness score: 1.751

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Chemical structure download