N-[(1E,4S,5R,9R,10R,11R)-11-[(3S,11S,12S,15R,17R,18S,21R,23R,24S,25R)-17-hydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl]-
AlkaPlorer ID: AK163681
Synonym: None
IUPAC Name: N-[(E,4S,5R,9R,10R,11R)-11-[(3S,5E,7E,11S,12S,13E,15R,17R,18S,19E,21R,23R,24S,25R)-17-hydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1
InChI: InChI=1S/C53H85NO13/c1-34-17-15-19-50(58)67-53(40(7)52(65-14)36(3)22-25-45(56)38(5)47(63-12)18-16-26-54(8)33-55)37(4)21-24-42(60-9)31-46(57)35(2)20-23-43(61-10)32-48(64-13)39(6)49-29-41(30-51(59)66-49)28-44(27-34)62-11/h15-17,19-21,23-24,26,30,33,35-40,42-44,46-49,52-53,57H,18,22,25,27-29,31-32H2,1-14H3/b19-15+,23-20+,24-21+,26-16+,34-17+/t35-,36+,37-,38-,39-,40+,42-,43-,44-,46+,47-,48+,49+,52+,53-/m0/s1
InChIKey: UJNWMHQOLURZPA-MQYFLVMKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reidispongia coerulea | Reidispongia | Phymatellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 944.2569999999998
TPSA？: 165.59
MolLogP？: 7.93780000000001
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|