Ansatrienin B; 20,23-Quinone
AlkaPlorer ID: AK288101
Synonym: Ansatrienin A, Mycotrienin I, T 23I, Antibiotic T 23I
IUPAC Name: (15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl) 2-(cyclohexanecarbonylamino)propanoate
Structure
SMILES: COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCC2=CC(=O)C=C(NC(=O)C1)C2=O
InChI: InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)
InChIKey: WWUVMHRJRCRFSL-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 636.7860000000003
TPSA？: 148.1
MolLogP？: 4.262400000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|