Cycloaplysinopsin A; 9-Epimer, 6''-bromo, 11,11'-bis(imide)
AlkaPlorer ID: AK293473
Synonym: Tubastrindole A
IUPAC Name: None
Structure
SMILES: CN1C(=N)N(C)C2(CC3=C(NC4=CC=CC=C34)C3(C(=O)N(C)C(=N)N3C)C2C2=CNC3=CC(Br)=CC=C23)C1=O
InChI: InChI=1S/C28H27BrN8O2/c1-34-23(38)27(36(3)25(34)30)12-17-15-7-5-6-8-19(15)33-22(17)28(24(39)35(2)26(31)37(28)4)21(27)18-13-32-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-33H,12H2,1-4H3
InChIKey: LVABJUZWHKWSAZ-UHFFFAOYSA-N
Reference
Aplysinopsin Dimers from a Stony Coral. Tubastraea aurea
PubChem CID: 73803689
CAS: 524067-24-1
LOTUS: LTS0252133
COCONUT: CNP0378561.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Smenospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Tubastraea | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 587.4820000000002
TPSA？: 126.38
MolLogP？: 3.362840000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|