Methylpendolmycin; N-De-Me
AlkaPlorer ID: AK306199
Synonym: N-Demethylmethylpendolmycin
IUPAC Name: 10-butan-2-yl-13-(hydroxymethyl)-5-(2-methylbut-3-en-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Structure
SMILES: C=CC(C)(C)C1=CC=C2NC(C(C)CC)C(O)=NC(CO)CC3=CNC1=C32
InChI: InChI=1S/C22H31N3O2/c1-6-13(3)19-21(27)24-15(12-26)10-14-11-23-20-16(22(4,5)7-2)8-9-17(25-19)18(14)20/h7-9,11,13,15,19,23,25-26H,2,6,10,12H2,1,3-5H3,(H,24,27)
InChIKey: RNSOUHHDODDYEH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinactinospora thermotolerans | Marinactinospora | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 369.5090000000001
TPSA？: 80.63999999999999
MolLogP？: 4.331600000000003
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|