Summary

IMPPAT Phytochemical identifier: IMPHY001319

Phytochemical name: ent-Kaur-16-en-19-ol

Synonymous chemical names:
ent-kaur-16-en-19-ol

External chemical identifiers:
CID:443465, ChEMBL:CHEMBL590263, ChEBI:29611, SureChEMBL:SCHEMBL20738425

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Chemical structure information

SMILES:
OC[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C)C1)C

InChI:
InChI=1S/C20H32O/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/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1

InChIKey:
TUJQVRFWMWRMIO-XRNRSJMDSA-N

DeepSMILES:
OC[C@]C)CCC[C@@][C@@H]6CC[C@][C@H]6CC[C@H]C6)C=C)C7))))))))))C

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

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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

NP-Likeness score: 3.311

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Chemical structure download