Fistularin 3; 11-Deoxy, 14-debromo
AlkaPlorer ID: AK298372
Synonym: 14-Debromo-11-deoxyfistularin 3
IUPAC Name: 7,9-dibromo-N-[3-[2-bromo-4-[2-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-1-hydroxyethyl]phenoxy]propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOC1=CC=C(C(O)CNC(=O)C3=NOC4(C=C(Br)C(OC)=C(Br)C4O)C3)C=C1Br)=NO2
InChI: InChI=1S/C31H31Br5N4O10/c1-46-24-16(33)9-30(26(42)22(24)35)11-18(39-49-30)28(44)37-6-3-7-48-21-5-4-14(8-15(21)32)20(41)13-38-29(45)19-12-31(50-40-19)10-17(34)25(47-2)23(36)27(31)43/h4-5,8-10,20,26-27,41-43H,3,6-7,11-13H2,1-2H3,(H,37,44)(H,38,45)
InChIKey: CQCBVWCHPVRKMW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina lacunosa | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1019.127
TPSA？: 189.76
MolLogP？: 4.326400000000003
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|