Asperlicin B
AlkaPlorer ID: AK079043
Synonym: None
IUPAC Name: (7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: CC(C)C[C@H]1C(=O)N2C3=CC=CC=C3[C@@](O)(C[C@@H]3N=C(O)C4=CC=CC=C4N4C3=NC3=CC=CC=C3C4=O)[C@H]2N1O
InChI: InChI=1S/C31H29N5O5/c1-17(2)15-25-29(39)35-24-14-8-5-11-20(24)31(40,30(35)36(25)41)16-22-26-32-21-12-6-3-9-18(21)28(38)34(26)23-13-7-4-10-19(23)27(37)33-22/h3-14,17,22,25,30,40-41H,15-16H2,1-2H3,(H,33,37)/t22-,25-,30+,31-/m0/s1
InChIKey: SVMKNJGSJSFLSU-IWENFQHWSA-N
Reference
PubChem CID: 196309
CAS: 93413-08-2
LOTUS: LTS0213331
SuperNatural Ⅲ: SN0356443-02
{NPAtlas: NPA020780
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 551.6030000000003
TPSA？: 131.49
MolLogP？: 3.815100000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|