182806-11-7
AlkaPlorer ID: AK053371
Synonym: '', 'Hemibastadinol 2'
IUPAC Name: (2S)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanamide
Structure
SMILES: OC(=NCCC1=CC=C(O)C(Br)=C1)[C@@H](O)CC1=CC(Br)=C(O)C(Br)=C1
InChI: InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)3-4-21-17(25)15(23)8-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
InChIKey: JCPIPPTTWCBNQY-HNNXBMFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 538.0300000000002
TPSA？: 93.28000000000002
MolLogP？: 4.487900000000003
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|