Summary

IMPPAT Phytochemical identifier: IMPHY008718

Phytochemical name: (1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid

Synonymous chemical names:
gibberellin ga 34

External chemical identifiers:
CID:5281987, ChEBI:29593, ZINC:ZINC000004102251

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Chemical structure information

SMILES:
C=C1C[C@@]23C[C@H]1CC[C@H]3[C@@]13[C@H]([C@@H]2C(=O)O)[C@](C)(C(=O)O3)[C@H]([C@H](C1)O)O

InChI:
InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1

InChIKey:
IGZIQAJJXGRAJF-TXZPEUJSSA-N

DeepSMILES:
C=CC[C@]C[C@H]5CC[C@H]6[C@][C@H][C@@H]9C=O)O)))[C@]C)C=O)O5))[C@H][C@H]C6)O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C12CCCC(C(=O)O1)C2C3

Scaffold Graph/Node level:
CC1CC23CC1CCC2C12CCCC(C(O)O1)C2C3

Scaffold Graph level:
CC1CC23CC1CCC2C12CCCC(C(C)C1)C2C3

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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: Gibberellins

NP-Likeness score: 3.394

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Chemical structure download