Varioloid A
AlkaPlorer ID: AK133437
Synonym: None
IUPAC Name: (5aS,10bS)-3-(1H-indol-3-yl)-1,2,4,10b-tetramethoxy-5a,6-dihydro-[1]benzofuro[2,3-b]indole
Structure
SMILES: COC1=C(OC)C2=C(O[C@@H]3NC4=CC=CC=C4[C@]23OC)C(OC)=C1C1=CNC2=CC=CC=C12
InChI: InChI=1S/C26H24N2O5/c1-29-21-19(15-13-27-17-11-7-5-9-14(15)17)22(30-2)24-20(23(21)31-3)26(32-4)16-10-6-8-12-18(16)28-25(26)33-24/h5-13,25,27-28H,1-4H3/t25-,26-/m0/s1
InChIKey: QIDTZJFVYOHUBF-UIOOFZCWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paecilomyces variotii | Paecilomyces | Thermoascaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 444.48700000000025
TPSA？: 73.97
MolLogP？: 4.894700000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 3.5 | ug.mL-1 | 10.1016/j.ejmech.2018.07.015 |
| Homo sapiens | HCT-116 | IC50 | 6.4 | ug.mL-1 | 10.1016/j.ejmech.2018.07.015 |
| Homo sapiens | HepG2 | IC50 | 2.5 | ug.mL-1 | 10.1016/j.ejmech.2018.07.015 |