Summary

IMPPAT Phytochemical identifier: IMPHY010982

Phytochemical name: Gibberellin A29

Synonymous chemical names:
gibberellin a(ga29), gibberellin a29, gibberellin ga29

External chemical identifiers:
CID:14605548, ChEBI:28040, ZINC:ZINC000004097026

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Chemical structure information

SMILES:
O[C@H]1C[C@@]23OC(=O)[C@](C1)([C@H]3[C@@H]([C@@]13[C@H]2CC[C@](C3)(C(=C)C1)O)C(=O)O)C

InChI:
InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1

InChIKey:
BKBYHSYZKIAJDA-WWSAFQOPSA-N

DeepSMILES:
O[C@H]C[C@]OC=O)[C@]C7)[C@H]5[C@@H][C@][C@H]8CC[C@]C6)C=C)C7))O))))))C=O)O))))C

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

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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: 3.499

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Chemical structure download