Summary

SMILES: OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O
InChI: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
InChIKey: IXORZMNAPKEEDV-OBDJNFEBSA-N
DeepSMILES: OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@]C5)O)CC7)))))))C=C[C@@H][C@@]6C)C=O)O7)))O
Scaffold Graph/Node/Bond level: C=C1CC23CC1CCC2C12C=CCC(C(=O)O1)C2C3
Scaffold Graph/Node level: CC1CC23CC1CCC2C12CCCC(C(O)O1)C2C3
Scaffold Graph level: CC1CC23CC1CCC2C12CCCC(C(C)C1)C2C3
Functional groups: CC(=O)O; C=C(C)C; CO; CC=CC; COC(=O)C

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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

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Synonymous chemical names:
gibberellin a3, gibberellins, gibberellic acid (ga(3)), gibberellic acid, gibberellic acid (ga3), gibberellin, Gibberellin A3

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External chemical identifiers:
CID:CID_6466; ChEMBL:CHEMBL1232952; ChEBI:CHEBI:28833; ZINC:ZINC000003860467; FDASRS:BU0A7MWB6L; SureChEMBL:SCHEMBL15577; MolPort-003-931-014

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Chemical structure download