General Information of the Compound
| Compound ID |
CP0189141
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| Compound Name |
17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester
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| Synonyms |
131-03-3
17-alpha-Hydroxy-20-alpha-yohimban-16-beta-carboxylic acid methyl ester
17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester
20-alpha-Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester
CHEBI:48562
CHEMBL10347
Corynanthidine
EINECS 205-006-9
Isoyohimbine
Mesoyohimbine
Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate
NCGC00017260-05
Rauwolscine
T4LJ7LU45W
UNII-T4LJ7LU45W
[3H]rauwolscine
alpha-Yohimbine
methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
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| InChI |
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
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| InChIKey |
BLGXFZZNTVWLAY-DIRVCLHFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound