Summary

IMPPAT Phytochemical identifier: IMPHY002819

Phytochemical name: Gibberellin A22

Synonymous chemical names:
canavalia gibberellin ii

External chemical identifiers:
CID:14833701, ChEBI:175391

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Chemical structure information

SMILES:
OCC12C=CCC3(C2C(C(=O)O)C24C3CCC(C4)(C(=C)C2)O)OC1=O

InChI:
InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)

InChIKey:
UPCTWJNMQCQZPT-UHFFFAOYSA-N

DeepSMILES:
OCCC=CCCC6CC=O)O))CC5CCCC6)C=C)C7))O))))))))OC7=O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C12CC=CC(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: 3.706

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Chemical structure download