Polyandrocarpamide A; 3'-Debromo, 3'-iodo
AlkaPlorer ID: AK039725
Synonym: Polyandrocarpamide B
IUPAC Name: N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Structure
SMILES: O=C(NCCC1=CC=C(O)C(I)=C1)C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C18H15IN2O3/c19-14-9-11(5-6-16(14)22)7-8-20-18(24)17(23)13-10-21-15-4-2-1-3-12(13)15/h1-6,9-10,21-22H,7-8H2,(H,20,24)
InChIKey: LYSQOZZYHKCETK-UHFFFAOYSA-N
Reference
Polyandrocarpamides A-D, novel metabolites from the marine ascidian polyandrocarpa sp.
PubChem CID: 179828
CAS: 129369-42-2
LOTUS: LTS0097327
COCONUT: CNP0290601
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polyandrocarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 434.2330000000001
TPSA？: 82.19
MolLogP？: 3.0197000000000003
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|