Fistularin 3; 19-Deoxy
AlkaPlorer ID: AK298371
Synonym: 19-Deoxyfistularin 3
IUPAC Name: 7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-2-hydroxypropoxy]phenyl]ethyl]-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)NCCC1=CC(Br)=C(OCC(O)CNC(=O)C3=NOC4(C=C(Br)C(OC)=C(Br)C4O)C3)C(Br)=C1)=NO2
InChI: InChI=1S/C31H30Br6N4O10/c1-47-24-17(34)7-30(26(43)21(24)36)9-19(40-50-30)28(45)38-4-3-13-5-15(32)23(16(33)6-13)49-12-14(42)11-39-29(46)20-10-31(51-41-20)8-18(35)25(48-2)22(37)27(31)44/h5-8,14,26-27,42-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)
InChIKey: KNTQXOFXILFRMV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sea | Nymphalidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1098.023
TPSA？: 189.76
MolLogP？: 4.568800000000004
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|