Hexadellin C
AlkaPlorer ID: AK300288
Synonym: None
IUPAC Name: 4-[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]-2-(trimethylazaniumyl)butanoate
Structure
SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCC1=CC(Br)=C(OCCC(C(=O)[O-])[N+](C)(C)C)C(Br)=C1)=NO2
InChI: InChI=1S/C25H29Br4N3O7/c1-32(2,3)18(24(35)36)6-8-38-20-14(26)9-13(10-15(20)27)5-7-30-23(34)17-12-25(39-31-17)11-16(28)21(37-4)19(29)22(25)33/h9-11,18,22,33H,5-8,12H2,1-4H3,(H-,30,34,35,36)
InChIKey: ZKNRYKRVFBEUOU-UHFFFAOYSA-N
Reference
CAS: 245436-91-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aiolochroia crassa | Aiolochroia | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 803.137
TPSA？: 129.51000000000002
MolLogP？: 2.885200000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|