Summary

IMPPAT Phytochemical identifier: IMPHY009222

Phytochemical name: Pterokaurene L3

Synonymous chemical names:
pterokaurene l3

External chemical identifiers:
CID:26112861, ZINC:ZINC000014486013

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Chemical structure information

SMILES:
C=C1C[C@@]23C[C@H]1CC[C@@]3(O)[C@]1([C@H](CC2)[C@@](C)(CCC1)C(=O)O)C

InChI:
InChI=1S/C20H30O3/c1-13-11-19-9-6-15-17(2,16(21)22)7-4-8-18(15,3)20(19,23)10-5-14(13)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17-,18-,19-,20-/m1/s1

InChIKey:
GQFVICMVZLJUEP-ABWGISGVSA-N

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

Functional groups:
C=C(C)C, CC(=O)O, 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, Tetracyclic diterpenoids

NP-Likeness score: 3.104

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Chemical structure download