Summary

IMPPAT Phytochemical identifier: IMPHY015516

Phytochemical name: Bornyl angelate

Synonymous chemical names:
bornyl angelate

External chemical identifiers:
CID:6428437, ZINC:ZINC000033950772

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Chemical structure information

SMILES:
C/C=C(C(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)/C

InChI:
InChI=1S/C15H24O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h6,11-12H,7-9H2,1-5H3/b10-6-/t11-,12+,15+/m0/s1

InChIKey:
ZUVAGNOBOHVXJJ-BZWVZTCCSA-N

DeepSMILES:
C/C=CC=O)O[C@@H]C[C@H]C[C@]5C)CC5)))C)C)))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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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: Camphane monoterpenoids

NP-Likeness score: 2.685

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Chemical structure download