9,10-Dihydrolysergol

Details

• Internal ID: a4378561-1e7b-45cf-af37-d9236f8170fa
• Taxonomy: Alkaloids and derivatives > Ergoline and derivatives > Clavines and derivatives
• IUPAC Name: [(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
• SMILES (Canonical): CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CO
• SMILES (Isomeric): CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO
• InChI: InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
• InChI Key: UFKTZIXVYHGAES-WDBKCZKBSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.34 g/mol
• Exact Mass: 256.157563266 g/mol
• Topological Polar Surface Area (TPSA): 39.30 Ų
• XlogP: 1.90

Synonyms

• 18051-16-6
• Dihydroelymoclavine
• Ergoline-8-methanol, 6-methyl-, (8beta)-
• 8alpha,9-Dihydroelymoclavine
• I39LU14H83
• LY 60722
• [(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
• LY-60722
• ((6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo(4,3-fg)quinolin-9-yl)methanol
• RefChem:548770
• 631-480-5
• Dihydrolysergol
• alpha-Dihydrolysergol
• UNII-I39LU14H83
• CHEMBL290217
• [(8beta)-6-methylergolin-8-yl]methanol
• ((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methanol
• 6-Methyl-ergoline-8-methanol
• Dihydro-lysergol
• Nicergoline Impurity 35
• MLS001173381
• SCHEMBL1893796
• (6-Methylergolin-8-yl)methanol
• 6-methylergolin-8beta-ylmethanol
• DTXSID20939343
• UFKTZIXVYHGAES-WDBKCZKBSA-N
• HMS2882O18
• BDBM50227495
• STL564572
• AKOS030254429
• 8.ALPHA.,9-DIHYDROELYMOCLAVINE
• NCGC00246217-01
• SMR000538902
• DB-225200
• 8-METHYLERGOLINE-8-METHANOL, .BETA.
• Methanol, [(8.beta.)-6-methylergolin-8-yl]-
• ERGOLINE-8-METHANOL, 6-METHYL-, (8.BETA.)-
• Q27280311
• [(2R,4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(16),9,12,14-tetraen-4-yl]methanol

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	99.13%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.69%	97.25%
CHEMBL2581	P07339	Cathepsin D	95.95%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.49%	97.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	91.41%	93.99%
CHEMBL228	P31645	Serotonin transporter	90.13%	95.51%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.05%	94.45%
CHEMBL238	Q01959	Dopamine transporter	88.37%	95.88%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.30%	95.56%
CHEMBL217	P14416	Dopamine D2 receptor	87.40%	95.62%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.05%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.84%	89.62%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	83.76%	94.01%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	83.61%	96.39%
CHEMBL3310	Q96DB2	Histone deacetylase 11	83.50%	88.56%
CHEMBL1907	P15144	Aminopeptidase N	82.54%	93.31%
CHEMBL1951	P21397	Monoamine oxidase A	81.78%	91.49%
CHEMBL226	P30542	Adenosine A1 receptor	81.27%	95.93%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5274124
• LOTUS: LTS0218031
• wikiData: Q27280311