Summary

IMPPAT Phytochemical identifier: IMPHY015555

Phytochemical name: Chrysanthenyl angelate

Synonymous chemical names:
chrysanthenyl angelate

External chemical identifiers:
CID:91748888

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Chemical structure information

SMILES:
C/C=C(C(=O)OC1C2CC=C(C1C2(C)C)C)/C

InChI:
InChI=1S/C15H22O2/c1-6-9(2)14(16)17-13-11-8-7-10(3)12(13)15(11,4)5/h6-7,11-13H,8H2,1-5H3/b9-6-

InChIKey:
XBIYGXBPWHLVBE-TWGQIWQCSA-N

DeepSMILES:
C/C=CC=O)OCCCC=CC6C6C)C)))C))))))))/C

Functional groups:
C/C=C(/C)C(=O)OC, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 3.047

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Chemical structure download