101481-34-9
AlkaPlorer ID: AK004205
Synonym: '105088-20-8', '', 'Dibromoisophakellin', '104758-96-5'
IUPAC Name: (1R,5S)-3-amino-7,8-dibromo-2,4,9,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,6(10),7-trien-11-one
Structure
SMILES: NC1=N[C@H]2C3=C(NC(Br)=C3Br)C(=O)N3CCC[C@]23N1
InChI: InChI=1S/C11H11Br2N5O/c12-5-4-6(15-8(5)13)9(19)18-3-1-2-11(18)7(4)16-10(14)17-11/h7,15H,1-3H2,(H3,14,16,17)/t7-,11+/m0/s1
InChIKey: DDCWMFYLYYJVTF-WRWORJQWSA-N
Reference
The structure of dibromoisophakellin from the marine sponge acanthella carteri
PubChem CID: 101590745
LOTUS: LTS0267343
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.0510000000002
TPSA？: 86.50999999999999
MolLogP？: 1.4446
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|