Polycitrin A
AlkaPlorer ID: AK056768
Synonym: None
IUPAC Name: 3,4-bis(3,5-dibromo-4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
Structure
SMILES: O=C1C(C2=CC(Br)=C(O)C(Br)=C2)=C(C2=CC(Br)=C(O)C(Br)=C2)C(=O)N1CCC1=CC=C(O)C=C1
InChI: InChI=1S/C24H15Br4NO5/c25-15-7-12(8-16(26)21(15)31)19-20(13-9-17(27)22(32)18(28)10-13)24(34)29(23(19)33)6-5-11-1-3-14(30)4-2-11/h1-4,7-10,30-32H,5-6H2
InChIKey: RKNTTXIUBNRVNB-UHFFFAOYSA-N
Reference
Polycitone A and Polycitrins A and B: New Alkaloids from the Marine Ascidian Polycitor sp
PubChem CID: 475570
LOTUS: LTS0079729
SuperNatural Ⅲ: SN0327929
COCONUT: CNP0170214
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polycitor | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 717.002
TPSA？: 98.07
MolLogP？: 6.375700000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|