Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003029

Phytochemical name: Kauren-19-ol

Synonymous chemical names:
kauren-19-ol, Kauren-19-ol

External chemical identifiers:
CID:CID_530420

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Chemical structure information

SMILES:
OCC1(C)CCCC2(C1CCC13C2CCC(C1)C(C3)C)C

InChI:
InChI=1S/C20H34O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h14-17,21H,4-13H2,1-3H3

InChIKey:
YNHXWZNOUUQLCY-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCCC6CCCC6CCCC6)CC7)C))))))))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)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 Classifier Class: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 3.144

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Chemical structure download