Cupolamide A
AlkaPlorer ID: AK293341
Synonym: None
IUPAC Name: [6-[4-(diaminomethylideneamino)butyl]-18-[2-[(4-hydroxybenzoyl)amino]ethyl]-12-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-3,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-23-yl] hydrogen sulfate
Structure
SMILES: CC(C)CC1NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCNC(=O)C2=CC=C(O)C=C2)NC(=O)C2CC(OS(=O)(=O)O)CN2C(=O)C(C(C)C)NC(=O)C(CCCCNC(=N)N)NC1=O
InChI: InChI=1S/C42H67N11O14S/c1-21(2)17-29-37(59)47-27(9-7-8-15-46-42(43)44)35(57)52-33(23(5)6)41(63)53-19-26(67-68(64,65)66)18-31(53)39(61)48-28(14-16-45-34(56)24-10-12-25(55)13-11-24)36(58)51-32(22(3)4)40(62)50-30(20-54)38(60)49-29/h10-13,21-23,26-33,54-55H,7-9,14-20H2,1-6H3,(H,45,56)(H,47,59)(H,48,61)(H,49,60)(H,50,62)(H,51,58)(H,52,57)(H4,43,44,46)(H,64,65,66)
InChIKey: XLSMHHQDTOPZHN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella cupola | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 982.1279999999996
TPSA？: 389.9699999999999
MolLogP？: -2.772830000000007
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|