Summary

IMPPAT Phytochemical identifier: IMPHY009616

Phytochemical name: Gibberellin A49

Synonymous chemical names:
gibberellin a49

External chemical identifiers:
CID:131751654, ChEBI:175663

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Chemical structure information

SMILES:
OC1CC2C3(CC1C(=C)C3)C(C1C32CC(O)C(C1(C(=O)O3)C)O)C(=O)O

InChI:
InChI=1S/C19H24O7/c1-7-4-18-5-8(7)9(20)3-11(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)12(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)

InChIKey:
NAGWIYJMYLCZLH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6C=C)C5))))CCC5CCO)CC6C=O)O7))C))O))))))C=O)O

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: 3.5

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Chemical structure download