73622-20-5
AlkaPlorer ID: AK101597
Synonym: None
IUPAC Name: (5S,6S)-7,9-dibromo-N-[(2S)-3-[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@@H](O)[C@@]2(C=C1Br)CC(C(=O)NC[C@H](O)COC1=C(Br)C=C([C@H]3CN=C(O)O3)C=C1Br)=NO2
InChI: InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-10(30)8-35-17-11(23)2-9(3-12(17)24)15-7-28-21(33)36-15/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)/t10-,15+,19+,22+/m0/s1
InChIKey: WZKUTASMIUOUPM-HUOCMSNQSA-N
Reference
Marine natural products: fistularin-1, -2 and -3 from the sponge Aplysina fistularis forma fulva
PubChem CID: 163090008
LOTUS: LTS0058443
SuperNatural Ⅲ: SN0424146-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina fistularis | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 775.0390000000001
TPSA？: 151.42999999999998
MolLogP？: 3.4741000000000017
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|