Summary

IMPPAT Phytochemical identifier: IMPHY014251

Phytochemical name: ent-17-Norkauran-16-one

Synonymous chemical names:
ent-17-norkauran-16-one

External chemical identifiers:
CID:12740861

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Chemical structure information

SMILES:
O=C1C[C@@]23C[C@@H]1CC[C@@H]3[C@@]1([C@@H](CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C19H30O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-13(14(20)12-19)5-6-16(18)19/h13,15-16H,4-12H2,1-3H3/t13-,15-,16+,18-,19-/m0/s1

InChIKey:
JJFSSTSAIZSCOF-DRACIFKTSA-N

DeepSMILES:
O=CC[C@]C[C@@H]5CC[C@@H]6[C@@][C@@H]CC%10))CC)C)CCC6)))))C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph/Node level:
OC1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph level:
CC1CC23CCC4CCCCC4C2CCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norkaurane diterpenoids

NP-Likeness score: 2.915

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Chemical structure download