Geissospermine
AlkaPlorer ID: AK299098
Synonym: None
IUPAC Name: methyl 2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2-(14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl)acetate
Structure
SMILES: C/C=C1\CN2CCC3=C(NC4=CC=CC=C34)C2CC1C(C(=O)OC)C1OCC2C3CC4N(CCC45C4=CC=CC=C4N1C25)CC3CC
InChI: InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5+
InChIKey: ISDWYSGTYITCHG-ZXKDJJQISA-N
Source
Properties Information
Molecule Weight: 632.8490000000002
TPSA？: 61.040000000000006
MolLogP？: 6.055600000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|