Sclerotiamide J
AlkaPlorer ID: AK000451
Synonym: None
IUPAC Name: (1R,2S,15S,17S,19S)-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.02,15.04,13.07,12.019,23]hexacosa-4(13),5,7(12),10-tetraene-3,24,26-trione
Structure
SMILES: CC1(C=CC2=C(O1)C=CC3=C2N[C@H]4[C@H](C3=O)[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)C
InChI: InChI=1S/C26H29N3O4/c1-23(2)10-8-13-15(33-23)7-6-14-18(13)27-20-17(19(14)30)26-16(24(20,3)4)12-25(21(31)28-26)9-5-11-29(25)22(26)32/h6-8,10,16-17,20,27H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,17-,20-,25-,26+/m0/s1
InChIKey: YCNXLOJTSOLHQO-JUSKNHCRSA-N
Reference
Recent Discovery of Nitrogen Heterocycles from Marine-Derived Aspergillus Species
PubChem CID: 170989809
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sclerotiorum | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 447.53500000000037
TPSA？: 87.74000000000001
MolLogP？: 2.7533000000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|