Dehydroechinulin
AlkaPlorer ID: AK077185
Synonym: None
IUPAC Name: (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(/C=C2\N=C(O)[C@H](C)N=C2O)C2=CC(CC=C(C)C)=CC(CC=C(C)C)=C2N1
InChI: InChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-16,19,32H,1,12-13H2,2-8H3,(H,30,34)(H,31,33)/b24-16-/t19-/m0/s1
InChIKey: NVZHTXBVXJVJTP-UZXDDYOISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 459.6340000000003
TPSA？: 80.97
MolLogP？: 7.304900000000007
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|