Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017931

Phytochemical name: Bornyl cinnamate

Synonymous chemical names:
Bornyl cinnamate

External chemical identifiers:
CID:CID_6437618

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Chemical structure information

SMILES:
O=C(O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)/C=C/c1ccccc1

InChI:
InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3/b10-9+/t15-,16+,19+/m0/s1

InChIKey:
ACTRLDZRLKIJEH-FXOMATFNSA-N

DeepSMILES:
O=CO[C@@H]C[C@H]C[C@]5C)CC5)))C)C))))))/C=C/cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)OC1CC2CCC1C2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OC1CC2CCC1C2

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Cinnamic acid esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 1.568

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Chemical structure download