Wickerol B

Details

• Internal ID: 8ebd4b09-7023-4bbf-b05b-be8c5ae816a1
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes
• IUPAC Name: (1R,4S,5S,8S,10S,11S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecane-4,11-diol
• SMILES (Canonical): CC1CC(C2CC3(CCC4C3C1(C2(C)C)CCC4(C)O)C)O
• SMILES (Isomeric): C[C@@H]1C[C@@H]([C@H]2C[C@@]3(CC[C@H]4[C@H]3[C@@]1(C2(C)C)CC[C@]4(C)O)C)O
• InChI: InChI=1S/C20H34O2/c1-12-10-15(21)14-11-18(4)7-6-13-16(18)20(12,17(14,2)3)9-8-19(13,5)22/h12-16,21-22H,6-11H2,1-5H3/t12-,13+,14-,15+,16-,18+,19+,20-/m1/s1
• InChI Key: WNNOQHXNMDRPDQ-ACRGTBQJSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.50 g/mol
• Exact Mass: 306.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.10

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	96.75%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.38%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.03%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.95%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	91.89%	97.79%
CHEMBL221	P23219	Cyclooxygenase-1	90.64%	90.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.42%	100.00%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	89.54%	95.58%
CHEMBL259	P32245	Melanocortin receptor 4	88.67%	95.38%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	88.54%	89.05%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.49%	92.94%
CHEMBL299	P17252	Protein kinase C alpha	87.09%	98.03%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	86.21%	82.69%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	84.17%	91.03%
CHEMBL237	P41145	Kappa opioid receptor	83.73%	98.10%
CHEMBL226	P30542	Adenosine A1 receptor	82.54%	95.93%
CHEMBL1871	P10275	Androgen Receptor	82.53%	96.43%
CHEMBL206	P03372	Estrogen receptor alpha	81.55%	97.64%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	81.30%	92.86%
CHEMBL3045	P05771	Protein kinase C beta	80.61%	97.63%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.00%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71499838
• LOTUS: LTS0100194
• wikiData: Q77479112