UNPD90809
AlkaPlorer ID: AK566087
Synonym: None
IUPAC Name: 13-ethylidene-4-methoxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one
Structure
SMILES: CC=C1CN2C3CC45C(=O)C3C1CC2C4NC1=CC=C(OC)C=C15
InChI: InChI=1S/C20H22N2O2/c1-3-10-9-22-15-7-12(10)17-16(22)8-20(19(17)23)13-6-11(24-2)4-5-14(13)21-18(15)20/h3-6,12,15-18,21H,7-9H2,1-2H3
InChIKey: XAGDMUBPNQGKOC-UHFFFAOYSA-N
Reference
The Alkaloids of Rauwolfia cumminsii.
PubChem CID: 163045391
CAS: 67627-71-8
LOTUS: LTS0009418
COCONUT: CNP0327436.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia mannii | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.4080000000001
TPSA？: 41.57000000000001
MolLogP？: 2.3487
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|