Waikikiamide B
AlkaPlorer ID: AK327976
Synonym: None
IUPAC Name: (1R,2R,10R,18S,32S,34S)-14-hydroxy-4-methoxy-10,24,24,31,31-pentamethyl-11,17,23-trioxa-29,38,40-triazaundecacyclo[32.5.2.01,32.02,18.03,16.06,15.08,13.018,30.019,28.022,27.034,38]hentetraconta-3(16),4,6,8(13),14,19(28),20,22(27),25,29-decaene-12,39,41-trione
Structure
SMILES: COC1=CC2=CC3=C(C(=O)O[C@H](C)C3)C(O)=C2C2=C1[C@@H]1[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C(C)(C)C3=NC4=C(C=CC5=C4C=CC(C)(C)O5)[C@]31O2
InChI: InChI=1S/C41H39N3O8/c1-18-14-19-15-20-16-24(49-6)28-31(26(20)30(45)27(19)33(46)50-18)52-41-22-8-9-23-21(10-12-37(2,3)51-23)29(22)42-34(41)38(4,5)25-17-39-11-7-13-44(39)36(48)40(25,32(28)41)43-35(39)47/h8-10,12,15-16,18,25,32,45H,7,11,13-14,17H2,1-6H3,(H,43,47)/t18-,25+,32-,39+,40-,41-/m1/s1
InChIKey: DKMOFXIZKXGGIM-DKGQAOFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. FM242 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 701.7760000000002
TPSA？: 135.99
MolLogP？: 5.586700000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|