Hirsutellone B
AlkaPlorer ID: AK018804
Synonym: None
IUPAC Name: (3S,4R,7R,9S,10S,13S,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-7-methyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione
Structure
SMILES: C=C[C@H]1C=C[C@H]2[C@@H]3C[C@H](C)CC[C@H]3[C@@H]3OC4=CC=C(C=C4)C[C@@]4(O)C[C@@H](C(=O)[C@@H]1[C@H]23)C(O)=N4
InChI: InChI=1S/C28H33NO4/c1-3-17-7-11-19-21-12-15(2)4-10-20(21)26-24(19)23(17)25(30)22-14-28(32,29-27(22)31)13-16-5-8-18(33-26)9-6-16/h3,5-9,11,15,17,19-24,26,32H,1,4,10,12-14H2,2H3,(H,29,31)/t15-,17+,19+,20-,21+,22+,23+,24+,26+,28-/m1/s1
InChIKey: VGNDUPFGVMMKPS-KOSFCWFBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hirsutella nivea | Hirsutella | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 447.57500000000016
TPSA？: 79.12
MolLogP？: 4.510800000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC | 0.78 | ug ml-1 | 10.1016/j.ejmech.2017.06.005 |