Pityriarubin A
AlkaPlorer ID: AK032688
Synonym: None
IUPAC Name: (3S)-1',2'-bis(1H-indol-3-yl)-3',5'-dioxospiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclopentene]-3-carboxylic acid
Structure
SMILES: O=C(O)[C@@H]1CC2=C(NC3=CC=CC=C23)C2(N1)C(=O)C(C1=CNC3=CC=CC=C13)=C(C1=CNC3=CC=CC=C13)C2=O
InChI: InChI=1S/C32H22N4O4/c37-29-26(20-14-33-22-10-4-1-8-17(20)22)27(21-15-34-23-11-5-2-9-18(21)23)30(38)32(29)28-19(13-25(36-32)31(39)40)16-7-3-6-12-24(16)35-28/h1-12,14-15,25,33-36H,13H2,(H,39,40)/t25-/m0/s1
InChIKey: MTYFENJTEZHZIP-VWLOTQADSA-N
Source
Properties Information
Molecule Weight: 526.5520000000002
TPSA？: 130.83999999999995
MolLogP？: 4.687500000000003
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|