Summary

IMPPAT Phytochemical identifier: IMPHY015140

Phytochemical name: 11-Nordrim-8-en-12-al

Synonymous chemical names:
11-nordrim-8-en-12-al

External chemical identifiers:
CID:101924433

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Chemical structure information

SMILES:
O=CC1=C[C@@]2([C@@H](CC1)C(C)(C)CCC2)C

InChI:
InChI=1S/C14H22O/c1-13(2)7-4-8-14(3)9-11(10-15)5-6-12(13)14/h9-10,12H,4-8H2,1-3H3/t12-,14+/m0/s1

InChIKey:
BMCFYFMNLALBBR-GXTWGEPZSA-N

DeepSMILES:
O=CC=C[C@@][C@@H]CC6))CC)C)CCC6)))))C

Functional groups:
CC(C=O)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 2.797

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Chemical structure download