Benzosceptrin A
AlkaPlorer ID: AK290410
Synonym: None
IUPAC Name: N-[[8,13-diamino-4-[(1H-pyrrole-2-carbonylamino)methyl]-7,9,12,14-tetrazatetracyclo[9.3.0.02,5.06,10]tetradeca-1(11),2(5),6(10),7,13-pentaen-3-yl]methyl]-1H-pyrrole-2-carboxamide
Structure
SMILES: NC1=NC2=C3C(=C4N=C(N)NC4=C2N1)C(CNC(=O)C1=CC=CN1)C3CNC(=O)C1=CC=CN1
InChI: InChI=1S/C22H22N10O2/c23-21-29-15-13-9(7-27-19(33)11-3-1-5-25-11)10(8-28-20(34)12-4-2-6-26-12)14(13)16-18(17(15)31-21)32-22(24)30-16/h1-6,9-10,25-26H,7-8H2,(H,27,33)(H,28,34)(H3,23,29,31)(H3,24,30,32)
InChIKey: OEGJHXKNQCTBQG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Mauritiana | Halotthiaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 458.48600000000016
TPSA？: 199.17999999999995
MolLogP？: 1.3005999999999995
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|