15b-β-methoxy-5-N-acetylardeemin
AlkaPlorer ID: AK073943
Synonym: None
IUPAC Name: (1S,12S,15R,23S)-16-acetyl-1-methoxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Structure
SMILES: C=CC(C)(C)[C@]12C[C@]3(OC)C4=NC5=CC=CC=C5C(=O)N4[C@@H](C)C(=O)N3[C@H]1N(C(C)=O)C1=CC=CC=C12
InChI: InChI=1S/C29H30N4O4/c1-7-27(4,5)28-16-29(37-6)25-30-21-14-10-8-12-19(21)24(36)31(25)17(2)23(35)33(29)26(28)32(18(3)34)22-15-11-9-13-20(22)28/h7-15,17,26H,1,16H2,2-6H3/t17-,26+,28-,29-/m0/s1
InChIKey: JKIJFAKSQSUHJR-SAQMNMOHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 498.58300000000025
TPSA？: 84.73999999999998
MolLogP？: 3.8454000000000033
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|