182806-12-8
AlkaPlorer ID: AK040830
Synonym: '', 'Hemibastadinol 3'
IUPAC Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
Structure
SMILES: OC(=NCCC1=CC(Br)=C(O)C(Br)=C1)[C@@H](O)CC1=CC=C(O)C(Br)=C1
InChI: InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)8-15(23)17(25)21-4-3-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
InChIKey: KTCXMUWGHHIRCQ-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？: 4.487900000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|