Cyclotheonamide; Cyclotheonamide E2
AlkaPlorer ID: AK293869
Synonym: None
IUPAC Name: N-[1-[[12-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,15,18-hexaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]amino]-1-oxopropan-2-yl]benzamide
Structure
SMILES: CCC(C)C1NC(=O)C(=O)C(CCCNC(=N)N)N=C(O)C2CCCN2C(=O)C(N=C(O)C(C)N=C(O)C2=CC=CC=C2)CN=C(O)C=CC(CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C42H56N10O9/c1-4-24(2)34-39(59)48-28(22-26-14-17-29(53)18-15-26)16-19-33(54)46-23-31(50-36(56)25(3)47-37(57)27-10-6-5-7-11-27)41(61)52-21-9-13-32(52)38(58)49-30(35(55)40(60)51-34)12-8-20-45-42(43)44/h5-7,10-11,14-19,24-25,28,30-32,34,53H,4,8-9,12-13,20-23H2,1-3H3,(H,46,54)(H,47,57)(H,48,59)(H,49,58)(H,50,56)(H,51,60)(H4,43,44,45)
InChIKey: YSNKBNIOHORIHX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 844.9710000000001
TPSA？: 311.56
MolLogP？: 3.1838700000000104
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|