Sphinxolide A; 8-Demethoxy, 10-deoxy, 19-Me ether
AlkaPlorer ID: AK313925
Synonym: Reidispongiolide A
IUPAC Name: N-[4,10-dimethoxy-5,9-dimethyl-6-oxo-11-(3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl)dodec-1-enyl]-N-methylformamide
Structure
SMILES: COC1C=CC(C)C(C(C)C(OC)C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C2)C(C)C(OC)CC(OC)C=CC(C)C(OC)C1
InChI: InChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3
InChIKey: LOYDTENNTZZQJM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reidispongia coerulea | Reidispongia | Phymatellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 958.2839999999998
TPSA？: 154.59
MolLogP？: 8.591900000000008
Number of H-Donors: 0
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|