Antibiotic PI 061; 12,12a-Didehydro
AlkaPlorer ID: AK288610
Synonym: None
IUPAC Name: [5,10-dihydroxy-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-4(9),5,7,16,19-pentaen-15-yl] 3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
Structure
SMILES: CC=C(C)C(=O)C(C)C(O)C(C)C(=O)OC1C=COC=C2CC3(SC)C(=O)N4C5=C(O)C=CC=C5C(O)C4(SC)C(=O)N3C21
InChI: InChI=1S/C31H36N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,21-22,25-26,34,36-37H,13H2,1-6H3
InChIKey: NUNCDQJROUUESZ-UHFFFAOYSA-N
Reference
Bioactive Compounds from the Seed Fungus <i>Menisporopsis </i><i>theobromae</i> BCC 3975
PubChem CID: 73240758
LOTUS: LTS0204865
COCONUT: CNP0281256.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Menisporopsis theobromae | Menisporopsis | Chaetosphaeriaceae | Chaetosphaeriales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 644.7680000000003
TPSA？: 153.91
MolLogP？: 3.013300000000001
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|