Iforrestine
AlkaPlorer ID: AK302316
Synonym: 2-Amino-8,9-dihydrooxazolo[4,5-g]pyrido[2,1-c][1,4]benzodiazepine-7,13(6H,7aH)-dione
IUPAC Name: 16-amino-15-oxa-3,10,17-triazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),4,12,14(18),16-pentaene-2,9-dione
Structure
SMILES: NC1=NC2=C3C(=O)N4C=CCCC4C(=O)NC3=CC=C2O1
InChI: InChI=1S/C14H12N4O3/c15-14-17-11-9(21-14)5-4-7-10(11)13(20)18-6-2-1-3-8(18)12(19)16-7/h2,4-6,8H,1,3H2,(H2,15,17)(H,16,19)
InChIKey: MCNNCDFRSLCHRM-UHFFFAOYSA-N
Reference
(+)-Iforrestine: a Novel Heterocyclic Nephrotoxin From Isotropis forrestii
PubChem CID: 180313
CAS: 125287-08-3
LOTUS: LTS0030919
COCONUT: CNP0188686.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isotropis forrestii | Isotropis | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.27500000000003
TPSA？: 101.46
MolLogP？: 1.4803999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|