Hoiamide B
AlkaPlorer ID: AK000140
Synonym: None
IUPAC Name: (5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-bis[(2S)-butan-2-yl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methylheptan-2-yl]-25-methoxy-5,9,14,24-tetramethyl-16,22-dioxa-3,7,28-trithia-11,19,30,31,32-pentazatetracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tetraene-10,15,18,21-tetrone
Structure
SMILES: CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)N=C(O)C([C@@H](C)CC)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)N=C(O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)C2=CSC(=N2)C[C@H](OC)[C@@H]1C
InChI: InChI=1S/C45H73N5O10S3/c1-14-17-24(6)34(52)26(8)37-25(7)30(58-13)18-31-46-29(19-61-31)39-49-45(12,21-62-39)43-50-44(11,20-63-43)42(57)48-32(22(4)15-2)35(53)27(9)40(55)59-36(23(5)16-3)38(54)47-33(28(10)51)41(56)60-37/h19,22-28,30,32-37,51-53H,14-18,20-21H2,1-13H3,(H,47,54)(H,48,57)/t22-,23-,24+,25-,26-,27+,28+,30-,32-,33-,34-,35-,36?,37-,44+,45+/m0/s1
InChIKey: KNGPFNUOXXLKCN-KKCRFZLHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Symploca | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 940.3049999999996
TPSA？: 225.31
MolLogP？: 6.883400000000008
Number of H-Donors: 5
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|