[13-(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.0²,¹?.0?,?.0¹²,¹?]octadeca-2(10),4,6,8-tetraen-15-yl]methanol
AlkaPlorer ID: AK485962
Synonym: None
IUPAC Name: [(1S,12R)-13-(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-15-yl]methanol
Structure
SMILES: CC1C(CO)C2C[C@H]3C4=C(C[C@H](C2CO)N13)C1=CC=CC=C1N4
InChI: InChI=1S/C19H24N2O2/c1-10-14(8-22)12-6-18-19-13(7-17(21(10)18)15(12)9-23)11-4-2-3-5-16(11)20-19/h2-5,10,12,14-15,17-18,20,22-23H,6-9H2,1H3/t10?,12?,14?,15?,17-,18+/m1/s1
InChIKey: PBLXNPSLWYWTKM-TVNVQTOGSA-N
Reference
LOTUS: LTS0141277
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia caffra | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 312.413
TPSA？: 59.49
MolLogP？: 2.0747
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|