asperlicin E
AlkaPlorer ID: AK112696
Synonym: 'asperlicin E', '', '(+)-asperlicin E', 'Asperlicin E'
IUPAC Name: (1S,20R,28S)-28-hydroxy-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,22,24,26-decaene-10,18-dione
Structure
SMILES: O=C1C2=CC=CC=C2N2C(=NC3=CC=CC=C3C2=O)[C@@H]2C[C@]3(O)C4=CC=CC=C4N[C@@H]3N12
InChI: InChI=1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1
InChIKey: HYHLSEUXMRFVND-AMDXRBSFSA-N
Reference
PubChem CID: 146428
CAS: 93413-05-9
LOTUS: LTS0227550
SuperNatural Ⅲ: SN0138767-03
NPASS: NPC134651
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus alliaceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 422.4440000000001
TPSA？: 87.46
MolLogP？: 2.9257
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|