1-[(1R,9R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-trien-8-yl]propan-1-one
AlkaPlorer ID: AK268678
Synonym: None
IUPAC Name: 1-[(1R,9R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]propan-1-one
Structure
SMILES: CCC(=O)N1C2=C(OC)C=CC=C2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@@H]43
InChI: InChI=1S/C23H32N2O2/c1-4-19(26)25-18-10-12-22(5-2)11-7-14-24-15-13-23(18,21(22)24)16-8-6-9-17(27-3)20(16)25/h6,8-9,18,21H,4-5,7,10-15H2,1-3H3/t18-,21-,22-,23-/m1/s1
InChIKey: CIQNQSRBNFTNRL-RLLPEYFOSA-N
Reference
Alkaloids from<i>Aspidosperma</i>Species from Bolivia
PubChem CID: 162863791
LOTUS: LTS0026383
SuperNatural Ⅲ: SN0046755-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma polyneuron | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.5210000000002
TPSA？: 32.78
MolLogP？: 4.116500000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|