Cycloaplysinopsin A; 9-Epimer, 6''-bromo, 11-imide
AlkaPlorer ID: AK293474
Synonym: Tubastrindole D
IUPAC Name: None
Structure
SMILES: CN1C(=N)N(C)C2(CC3=C(NC4=CC=CC=C34)C3(C(=O)N(C)C(=O)N3C)C2C2=CNC3=CC(Br)=CC=C23)C1=O
InChI: InChI=1S/C28H26BrN7O3/c1-33-23(37)27(35(3)25(33)30)12-17-15-7-5-6-8-19(15)32-22(17)28(24(38)34(2)26(39)36(28)4)21(27)18-13-31-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-32H,12H2,1-4H3
InChIKey: WILDJHDKEXXKQZ-UHFFFAOYSA-N
Reference
Aplysinopsin Dimers from a Stony Coral. Tubastraea aurea
PubChem CID: 162960633
CAS: 1058195-62-2
LOTUS: LTS0150189
COCONUT: CNP0231766.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tubastraea | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 588.4660000000001
TPSA？: 119.6
MolLogP？: 3.548070000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|