Destruxin B
AlkaPlorer ID: AK013591
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChI: InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKey: GNBHVMBELHWUIF-BKWLFHPQSA-N
Reference
Depsipeptides from Metarhizium anisopliae
PubChem CID: 23306078
CAS: 25491-42-3
LOTUS: LTS0107841
SuperNatural Ⅲ: SN0110105-01
NPASS: NPC173763
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium anisopliae | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 593.7660000000002
TPSA？: 152.41000000000005
MolLogP？: 2.9966000000000035
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 6300.0 | nM | 10.1016/j.ejmech.2020.113149 |
| Homo sapiens | SW480 | IC50 | 6250.0 | nM | 10.1016/j.ejmech.2020.113149 |