Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002527

Phytochemical name: Kaurene*

Synonymous chemical names:
kaurene*, kaurene, Kaurene

External chemical identifiers:
CID:CID_3033942

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Chemical structure information

SMILES:
C[C@H]1CC23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CC=C1)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/h5,10,14-17H,6-9,11-13H2,1-4H3/t14-,15-,16+,17-,19+,20?/m0/s1

InChIKey:
IODSADAHQKFXES-CCJFMQDPSA-N

DeepSMILES:
C[C@H]CCC[C@@H]5CC[C@H]6[C@][C@H]CC%10))CC)C)CC=C6)))))C

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C(CC1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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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-Likeness score: 3.004

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Chemical structure download