Fistularin 3; 11,19-Dideoxy
AlkaPlorer ID: AK298374
Synonym: 11,19-Dideoxyfistularin 3
IUPAC Name: 7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]ethyl]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=C(Br)C=C(CCNC(=O)C3=NOC4(C=C(Br)C(OC)=C(Br)C4O)C3)C=C1Br)=NO2
InChI: InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)
InChIKey: SYYVXQOWLOEXDU-UHFFFAOYSA-N
Reference
Bioactive Brominated Metabolites from the Red Sea Sponge <i>Suberea mollis</i>
PubChem CID: 14636480
CAS: 179523-38-7
LOTUS: LTS0167722
COCONUT: CNP0109600.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | None | Tricladida | Rhabditophora | Platyhelminthes | Metazoa | Eukaryota |
| Aplysina lacunosa | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Pseudoceratina durissima | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1082.024
TPSA？: 169.53
MolLogP？: 5.598000000000005
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|