Paraherquamide J
AlkaPlorer ID: AK092717
Synonym: None
IUPAC Name: (1'S,5'R,7'R,8R,9'S)-4,4,5',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione
Structure
SMILES: C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(O)=NC1=C2OC=CC(C)(C)OC2=CC=C15
InChI: InChI=1S/C28H33N3O5/c1-15-11-26-12-18-25(4,5)28(13-27(18,30(6)23(26)34)14-31(26)21(15)32)16-7-8-17-20(19(16)29-22(28)33)35-10-9-24(2,3)36-17/h7-10,15,18H,11-14H2,1-6H3,(H,29,33)/t15-,18+,26+,27-,28-/m1/s1
InChIKey: PNRZRLCKLQMXGH-ZMRQOHPNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus duricaulis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 491.58800000000025
TPSA？: 91.67000000000002
MolLogP？: 3.857300000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|