Borreverine
AlkaPlorer ID: AK036635
Synonym: '', 'Borreverine'
IUPAC Name: N-methyl-2-[2-[(1S,9R,10S,15R,16R)-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]ethanamine
Structure
SMILES: CNCCC1=C([C@@H]2[C@@H]3[C@H](C=C(C)CC3(C)C)[C@]34NC5=CC=CC=C5[C@]23CCN4C)NC2=CC=CC=C12
InChI: InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1
InChIKey: PHMBUGRSZKDHNS-QGEDZZHQSA-N
Reference
Spermacoceine, a bis-indole alkaloid from Borreria verticillata
PubChem CID: 442020
CAS: 51109-65-0
LOTUS: LTS0035303
NPASS: NPC131044
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flindersia pimenteliana | Flindersia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 480.7000000000002
TPSA？: 43.09
MolLogP？: 6.030900000000006
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 5000.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 220.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 310.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| None | Unchecked | Ratio IC50 | 16.0 | None | 10.1021/acs.jnatprod.7b00587 |