POTASSIUM GIBBERELLATE

General Information

Mainterm	POTASSIUM GIBBERELLATE
Doc Type	EAF
CAS Reg.No.(or other ID)	125-67-7
Regnum	172.725

From www.fda.gov

Computed Descriptors

2D Structure
CID	71299661
IUPAC Name
InChI	InChI=1S/C19H22O6.K/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);/q;+1/p-1/t10-,11+,12-,13-,16-,17+,18+,19-;/m1./s1
InChI Key	BGJIAUDTIACQSC-GLDAWBHVSA-M
Canonical SMILES	CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O.[K+]
Molecular Formula	C19H21KO6
Wikipedia	potassium gibberellate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	384.469
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Complexity	778.0
CACTVS Substructure Key Fingerprint	A A A D c e B 4 O A A A Q A A A A A A A A A A A A A A A A a M E A A A w Q A A A B g g S A G D A A A A A G g A A C A A A D 1 S g g A I C C A A A B g C I A i D S C A A A A A A g A A A I C A E A A A g A F B Y A I Q A C U A A F o A A I M A P K 7 v z P g A A A A A A A A A D A A A Y A A C A A A Y A A D A A A A A = =
Topological Polar Surface Area	107.0
Monoisotopic Mass	384.098
Exact Mass	384.098
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	26
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Diterpenoids
Intermediate Tree Nodes	Gibberellins - C19-gibberellins
Direct Parent	C19-gibberellin 6-carboxylic acids
Alternative Parents	Carboxylic acid esters Organic potassium salts Carboxylic acids Hydrocarbon derivatives Secondary alcohols Organic oxides Organic zwitterions Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Gamma butyrolactones Oxacyclic compounds Tetrahydrofurans Carbonyl compounds Diterpene lactones Tertiary alcohols Carboxylic acid salts
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	20-norgibberellane-6-carboxylic acid - Diterpene lactone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid salt - Lactone - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic potassium salt - Organic oxygen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position.

From ClassyFire