Cyclotheonamide; Cyclotheonamide E3
AlkaPlorer ID: AK293870
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]-3-methylbutanamide
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)CC(C)C)CN=C(O)C=CC(CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C40H60N10O9/c1-6-23(4)33-37(57)46-26(20-25-11-14-27(51)15-12-25)13-16-31(52)44-21-29(48-35(55)24(5)45-32(53)19-22(2)3)39(59)50-18-8-10-30(50)36(56)47-28(34(54)38(58)49-33)9-7-17-43-40(41)42/h11-16,22-24,26,28-30,33,51H,6-10,17-21H2,1-5H3,(H,44,52)(H,45,53)(H,46,57)(H,47,56)(H,48,55)(H,49,58)(H4,41,42,43)
InChIKey: ARWQONCLAGEDMW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 824.981
TPSA？: 311.56
MolLogP？: 3.1816700000000093
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|