Gibberellin A70

Details

• Internal ID: bb002778-d7c0-499e-91d8-4914cc7f3599
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids
• IUPAC Name: (1R,2R,4S,5R,8R,9S,10R,11R)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
• SMILES (Canonical): CC12CCCC3(C1C(C45C3CC(C(C4)C(=C)C5)O)C(=O)O)OC2=O
• SMILES (Isomeric): C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3C[C@@H]([C@H](C4)C(=C)C5)O)C(=O)O)OC2=O
• InChI: InChI=1S/C19H24O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,14-,17-,18+,19-/m1/s1
• InChI Key: IPHNMKITOREFLW-MTVNJVDJSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₅
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.16237386 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 1.30

Synonyms

• GA70
• DTXSID401316993
• 52846-39-6

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.83%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.70%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.89%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.59%	97.25%
CHEMBL340	P08684	Cytochrome P450 3A4	86.55%	91.19%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.11%	97.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	85.25%	96.77%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.66%	89.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.10%	95.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.94%	99.23%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.81%	91.07%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.20%	93.04%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	81.64%	96.38%
CHEMBL2581	P07339	Cathepsin D	81.18%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.44%	96.09%

Plants that contains it

• Abelmoschus esculentus
• Cibotium glaucum
• Lygodium circinatum

Cross-Links

• PubChem: 101869927
• LOTUS: LTS0140979
• wikiData: Q105117255