Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 7th, 2005 |
42 |
No
|
Other Names:
(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester; 11-demethoxyreserpine; 11-desmethoxyreserpine; Harmonyl; Raunormine; canescine; recanescine
11-Demethoxyreserpine
11-Demethoxyreserpine; 11-Desmethoxyreserpine; 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester); 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-
11-Desmethoxyreserpine
131-01-1
131-01-1; C06541; Deserpidine
131-01-1; D08194; Deserpidine (INN); Halmonyl (TN)
17.alpha.-Methoxy-18.beta.-[(3,4,5-trimethoxybenzoyl)oxy]-3.beta.,20.alpha.-yohimban-16.beta.-carboxylic acid methyl ester
3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester)
4-25-00-01282 (Beilstein Handbook Reference)
959244-16-7
A-11025
AC1L1R81
AC1Q5YIY
Aescin
AR-1I3653
BAN
Benz[g]indolo[2,3-a]quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,-13,13b,14,14a-dodecahydro-3-hydroxy-2-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate
beta-Escin
BRN 0101820
C06541
C32H38N2O8
Canescin
Canescine
CHEBI:23645; CHEBI:4444
CHEBI:27478
CHEMBL1200515
CID8550
D08194
DAP000909
DB01089
Deresperine
Deresperine;Desepridine;Deserpidin;Deserpidina [INN-Spanish];Deserpidinum [INN-Latin];Deserpine;Desmethoxyreserpine
Desepridine
Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
Deserpidin
Deserpidina
Deserpidina [INN-Spanish]
Deserpidine (BAN
Deserpidine (FDA
Deserpidine (INN)
Deserpidine [INN:BAN]
Deserpidinum
Deserpidinum [INN-Latin]
Deserpine
Desmethoxyreserpine
EINECS 205-004-8
Enduronyl
FDA
Halmonyl
Halmonyl (TN)
Harmonyl
I06-1877
INN
INN)
Lilly 22641
LS-7299
MD-0232
methyl (3beta,16beta,17alpha,18beta,20alpha)-17-(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate
methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate
Methyl 17alpha-methoxy-18beta-(3,4,5-trimethoxybenzoyloxy)-3beta,20alpha-yohimban-16beta-carboxylat
Methyl 18beta-hydroxy-17alpha-methoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester)
MFCD00078228
MI
MI)
NCGC00168786-01
NCGC00168786-02
NSC 72138
NSC72138
ORETICYL 50
Raunorine
Raunormin
Raunormine
Recanescin
Recanescine
Reserpidine
Tranquinil
UNII-9016E3VB47
Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-
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MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.98 |
2.31 |
-43.65 |
2 |
10 |
1 |
109 |
579.67 |
9 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| ALOGPS_SOLUBILITY |
1.11e-02 g/l |
DrugBank-approved |
| Indications |
antihypertensive, antipsychotic |
KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID |
EP0005365A1; EP0033797A1; EP0061186A1; EP0061187A1; EP0064385A1; EP0126684A2; EP0126684B1; EP0156321A2; EP0156322A2; EP0157409A2; EP0166353A2; EP0166353B1; EP0169105A2; EP0169105B1; EP0208617A1; EP0249223A2; EP0249223B1; EP0249224A2; EP0273696A2; EP027815 |
IBM Patent Data |
| Patent Database Links |
GB2264710; WO2007112581 |
ChEBI |
No pre-computed analogs available. Try a structural similarity search.
