(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol

C19H22N2O — CID 15478647

IUPAC(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol
SMILESO[C@@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)C3=C[C@@H]2C1
InChIInChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,10,12-14,20,22H,5-9,11H2/t12-,13-,14+/m0/s1
InChIKeyDCJJGKBUJOVLMR-MELADBBJSA-N
MW294.40 g/mol
LogP3.16
Rot. Bonds

About (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol

(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol (PubChem CID 15478647) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol.

Molecular Properties

Compound Name(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol
PubChem CID15478647
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol
SMILESO[C@@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)C3=C[C@@H]2C1
InChIInChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,10,12-14,20,22H,5-9,11H2/t12-,13-,14+/m0/s1
InChIKeyDCJJGKBUJOVLMR-MELADBBJSA-N
XLogP3.16
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol with MolForge

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Related Compounds

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CID 163022349
3,11,12,14-tetrahydroyohimban
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CID 11023861
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
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CID 90862980
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
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(111C)methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 135390911
methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 2866
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Frequently Asked Questions

What is the IUPAC name of (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol?
The IUPAC name of (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol (CID 15478647) is (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol.
What is the SMILES notation for (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol?
The canonical SMILES for (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol is O[C@@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)C3=C[C@@H]2C1.
What is the InChIKey of (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol?
The InChIKey is DCJJGKBUJOVLMR-MELADBBJSA-N. The full InChI is InChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,10,12-14,20,22H,5-9,11H2/t12-,13-,14+/m0/s1.
What are the key properties of (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol?
(15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol has a molecular weight of 294.40 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,18R,20R)-3,11,12,14,15,16,17,18,19,20-decahydroyohimban-18-ol is sourced from PubChem (CID 15478647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).