Polycitrin A; 17-Me ether
AlkaPlorer ID: AK056777
Synonym: Polycitrin B
IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-4-(3,5-dibromo-4-methoxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
Structure
SMILES: COC1=C(Br)C=C(C2=C(C3=CC(Br)=C(O)C(Br)=C3)C(=O)N(CCC3=CC=C(O)C=C3)C2=O)C=C1Br
InChI: InChI=1S/C25H17Br4NO5/c1-35-23-18(28)10-14(11-19(23)29)21-20(13-8-16(26)22(32)17(27)9-13)24(33)30(25(21)34)7-6-12-2-4-15(31)5-3-12/h2-5,8-11,31-32H,6-7H2,1H3
InChIKey: KRCOALHPDSSJGT-UHFFFAOYSA-N
Reference
Polycitone A and Polycitrins A and B: New Alkaloids from the Marine Ascidian Polycitor sp
PubChem CID: 10259377
LOTUS: LTS0137236
SuperNatural Ⅲ: SN0193151
COCONUT: CNP0167755
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polycitor | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 731.0290000000002
TPSA？: 87.07
MolLogP？: 6.678700000000007
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|