Scopularide B
AlkaPlorer ID: AK049540
Synonym: None
IUPAC Name: (3S,6S,9R,12S,19S)-3-benzyl-19-decan-2-yl-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CCCCCCCCC(C)[C@@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)O1
InChI: InChI=1S/C38H61N5O7/c1-8-9-10-11-12-14-17-26(6)31-22-32(44)39-23-33(45)43-34(25(4)5)37(48)41-29(20-24(2)3)36(47)40-27(7)35(46)42-30(38(49)50-31)21-28-18-15-13-16-19-28/h13,15-16,18-19,24-27,29-31,34H,8-12,14,17,20-23H2,1-7H3,(H,39,44)(H,40,47)(H,41,48)(H,42,46)(H,43,45)/t26?,27-,29+,30-,31-,34-/m0/s1
InChIKey: RALTUMFCLLNZRF-ZWQOBNLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scopulariopsis | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 699.9340000000002
TPSA？: 189.25
MolLogP？: 7.910200000000008
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|