Summary

IMPPAT Phytochemical identifier: IMPHY014027

Phytochemical name: Kaur-15-en-17-ol

Synonymous chemical names:
ent-kaur-15-en-17-ol

External chemical identifiers:
CID:3082069

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Chemical structure information

SMILES:
OCC1=CC23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C20H32O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12,14,16-17,21H,4-11,13H2,1-3H3/t14-,16+,17-,19+,20?/m0/s1

InChIKey:
BYNLGAZDLCEGRX-GTZPUNCASA-N

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

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC4CCCCC4C2CCC1C3

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 Classifier Class: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 3.074

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Chemical structure download