Bistratamide A; 11,12-Didehydro
AlkaPlorer ID: AK290778
Synonym: Bistratamide B
IUPAC Name: 18-benzyl-7,11-dimethyl-4-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),19(22)-tetraene-2,9,16-trione
Structure
SMILES: CC1N=C(O)C2N=C(OC2C)C(C(C)C)N=C(O)C2=CSC(=N2)C(CC2=CC=CC=C2)N=C(O)C2CSC1=N2
InChI: InChI=1S/C27H32N6O4S2/c1-13(2)20-25-33-21(15(4)37-25)24(36)28-14(3)26-30-18(11-38-26)22(34)29-17(10-16-8-6-5-7-9-16)27-31-19(12-39-27)23(35)32-20/h5-9,12-15,17-18,20-21H,10-11H2,1-4H3,(H,28,36)(H,29,34)(H,32,35)
InChIKey: BRLJUCBNCZSZRH-UHFFFAOYSA-N
Reference
Novel cytotoxic compounds from the ascidian Lissoclinum bistratum
PubChem CID: 149118
CAS: 120881-21-2
LOTUS: LTS0140366
COCONUT: CNP0330276.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prochloron sp. | Prochloron | Prochloraceae | Synechococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 568.7250000000001
TPSA？: 144.61
MolLogP？: 4.770900000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|