Spermacoceine
AlkaPlorer ID: AK268184
Synonym: 2-[2,4a,10,10a-Tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]-1H-indole-3-ethanol
IUPAC Name: 2-[2-(12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl)-1H-indol-3-yl]ethanol
Structure
SMILES: CC1=CC2C(C(C3=C(CCO)C4=CC=CC=C4N3)C34CCN(C)C23NC2=CC=CC=C24)C(C)(C)C1
InChI: InChI=1S/C31H37N3O/c1-19-17-23-26(29(2,3)18-19)27(28-21(13-16-35)20-9-5-7-11-24(20)32-28)30-14-15-34(4)31(23,30)33-25-12-8-6-10-22(25)30/h5-12,17,23,26-27,32-33,35H,13-16,18H2,1-4H3
InChIKey: DQUWKOZIVLIXFY-UHFFFAOYSA-N
Reference
Spermacoceine, a bis-indole alkaloid from Borreria verticillata
PubChem CID: 163049357
LOTUS: LTS0168855
COCONUT: CNP0332454
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Borreria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.6570000000003
TPSA？: 51.29
MolLogP？: 5.803800000000005
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|