Diazonamide B; Homologue (R = CH2CH3), debromo
AlkaPlorer ID: AK295405
Synonym: Diazonamide E
IUPAC Name: 13-amino-10-butan-2-yl-3,35-dichloro-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-12-one
Structure
SMILES: CCC(C)C1NC(=O)C(N)CC2=CC=C3OC4NC5=C6C=CC=C5C4(C3=C2)C2=C(N=C1O2)C1=NC(Cl)=C(O1)C1=C(Cl)NC2=CC=CC6=C12
InChI: InChI=1S/C36H28Cl2N6O4/c1-3-14(2)25-33-42-27-29(48-33)36-18-8-4-7-17(16-6-5-9-21-23(16)24(30(37)40-21)28-31(38)44-34(27)47-28)26(18)43-35(36)46-22-11-10-15(12-19(22)36)13-20(39)32(45)41-25/h4-12,14,20,25,35,40,43H,3,13,39H2,1-2H3,(H,41,45)
InChIKey: PUQIUJFMNNHHJJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Diazona | Diazonidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 679.5640000000001
TPSA？: 144.23
MolLogP？: 7.330300000000006
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|