Bromosceptrin
AlkaPlorer ID: AK048682
Synonym: ''
IUPAC Name: N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC=C([C@H]2[C@H](CNC(=O)C3=CC(Br)=CN3)[C@@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H]2C2=CNC(=N)N2)N1
InChI: InChI=1S/C22H23Br3N10O2/c23-8-1-12(28-3-8)19(36)29-4-9-10(5-30-20(37)13-2-11(24)18(25)33-13)17(15-7-32-22(27)35-15)16(9)14-6-31-21(26)34-14/h1-3,6-7,9-10,16-17,28,33H,4-5H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,32,35)/t9-,10-,16-,17-/m1/s1
InChIKey: NWEOUKWTIRBPSR-HPLPCWARSA-N
Reference
Bromosceptrin, an Alkaloid from the Marine Sponge Agelas conifera
PubChem CID: 21632565
LOTUS: LTS0088806
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 699.206
TPSA？: 200.64
MolLogP？: 2.87504
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|