CID 100992389

Details

• Internal ID: 075e7819-2c75-432c-b681-b501618b2d6f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• InChI: InChI=1S/C24H40O6/c1-15-13-17(28-16(2)25)19-21(3,4)9-8-10-22(19,5)24(15)12-11-23(30-24)14-18(26-6)29-20(23)27-7/h15,17-20H,8-14H2,1-7H3/t15-,17-,18-,19+,20-,22+,23+,24-/m0/s1
• InChI Key: YCGYYZXBHVNOIX-YELFZQJRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₄₀O₆
• Molecular Weight: 424.60 g/mol
• Exact Mass: 424.28248899 g/mol
• Topological Polar Surface Area (TPSA): 63.20 Ų
• XlogP: 4.50

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.82%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.81%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.63%	97.25%
CHEMBL340	P08684	Cytochrome P450 3A4	91.97%	91.19%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.42%	97.09%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	85.22%	95.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.02%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.27%	85.14%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.97%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.59%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.48%	100.00%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	82.42%	94.08%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.13%	97.14%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.11%	91.07%

Plants that contains it

• Vitex rotundifolia

Cross-Links

• PubChem: 100992389
• LOTUS: LTS0040181
• wikiData: Q105346254