Summary

IMPPAT Phytochemical identifier: IMPHY015125

Phytochemical name: (-)-Kaur-16-ene

Synonymous chemical names:
α-kaurene

External chemical identifiers:
CID:5318786

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Chemical structure information

SMILES:
C=C1C[C@@]23C[C@H]1CC[C@H]3C1([C@H](CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19?,20-/m1/s1

InChIKey:
ONVABDHFQKWOSV-BRHLSEQLSA-N

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

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph/Node level:
CC1CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph level:
CC1CC23CCC4CCCCC4C2CCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Kaurane and Phyllocladane diterpenoids, Podocarpane diterpenoids

NP-Likeness score: 3.206

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Chemical structure download