Summary

IMPPAT Phytochemical identifier: IMPHY012693

Phytochemical name: ent-17-Hydroxy-16beta-kauran-19-al

Synonymous chemical names:
17-hydroxy-16β-ent-kauran-19-al

External chemical identifiers:
CID:3481851, ChEBI:170114

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Chemical structure information

SMILES:
OCC1CC23CC1CCC3C1(C(CC2)C(C)(C=O)CCC1)C

InChI:
InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3

InChIKey:
ACXLVKYMISNUFD-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC5CCC6CCCC%10))CC)C=O))CCC6)))))C

Functional groups:
CC=O, 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, Norkaurane diterpenoids

NP-Likeness score: 3.41

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Chemical structure download