Pityriarubin B
AlkaPlorer ID: AK046617
Synonym: None
IUPAC Name: 3-hydroxy-4,7,8-tris(1H-indol-3-yl)-1-azaspiro[4.4]nona-3,7-diene-2,6,9-trione
Structure
SMILES: O=C1C(C2=CNC3=CC=CC=C23)=C(C2=CNC3=CC=CC=C23)C(=O)C12N=C(O)C(O)=C2C1=CNC2=CC=CC=C12
InChI: InChI=1S/C32H20N4O4/c37-28-27(21-15-35-24-12-6-3-9-18(21)24)32(36-31(28)40)29(38)25(19-13-33-22-10-4-1-7-16(19)22)26(30(32)39)20-14-34-23-11-5-2-8-17(20)23/h1-15,33-35,37H,(H,36,40)
InChIKey: VAARBHPRZVWJLJ-UHFFFAOYSA-N
Reference
PubChem CID: 11283872
CAS: 454475-84-4
LOTUS: LTS0228217
NPASS: NPC190337
COCONUT: CNP0183489
{NPAtlas: NPA002738
Source
Properties Information
Molecule Weight: 524.5360000000003
TPSA？: 134.33
MolLogP？: 5.871300000000002
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 8
Activities Information
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