3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,?.0¹¹,¹?]pentadeca-2,11,13-trien-10-one
AlkaPlorer ID: AK083029
Synonym: None
IUPAC Name: (1R,5S)-3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetrazatetracyclo[7.6.0.01,5.011,15]pentadeca-2,11,13-trien-10-one
Structure
SMILES: CO[C@@]12CCCN3C(=O)C4=CC(Br)=C(Br)N4[C@]31NC(=N)N2
InChI: InChI=1S/C12H13Br2N5O2/c1-21-11-3-2-4-18-9(20)7-5-6(13)8(14)19(7)12(11,18)17-10(15)16-11/h5H,2-4H2,1H3,(H3,15,16,17)/t11-,12+/m0/s1
InChIKey: WRPQWSIBDZEYMZ-NWDGAFQWSA-N
Reference
Bromopyrrole Carboxamide Biosynthetic Products from the Caribbean Sponge <i>Agelas </i><i>dispar</i>
PubChem CID: 16215416
LOTUS: LTS0253547
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.077
TPSA？: 82.38
MolLogP？: 1.34327
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|