Denigrin B
AlkaPlorer ID: AK123079
Synonym: None
IUPAC Name: 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Structure
SMILES: O=C1C(C2=CC=C(O)C=C2)=C(C2=CC=C(O)C=C2)C(=CC2=CC=C(O)C=C2)N1CCC1=CC=C(O)C=C1
InChI: InChI=1S/C31H25NO5/c33-24-9-1-20(2-10-24)17-18-32-28(19-21-3-11-25(34)12-4-21)29(22-5-13-26(35)14-6-22)30(31(32)37)23-7-15-27(36)16-8-23/h1-16,19,33-36H,17-18H2
InChIKey: VSRODIJFMZISTL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 491.5430000000002
TPSA？: 101.23
MolLogP？: 5.545800000000007
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|