Deoxytryptoquivaline
AlkaPlorer ID: AK123940
Synonym: ''
IUPAC Name: [(1R)-1-[3-[(3'R,3aS,4S)-2,2-dimethyl-1,2'-dioxospiro[3,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
Structure
SMILES: CC(=O)O[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]1C[C@]2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)(C)N[C@@H]12)C(C)C
InChI: InChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22-,26+,29+/m1/s1
InChIKey: IMOPNDYCCIZBPJ-ZLNVNOGBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus clavatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 530.5810000000002
TPSA？: 119.83
MolLogP？: 3.0947000000000013
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|