TMC-120-B
AlkaPlorer ID: AK032069
Synonym: '', 'TMC 120B'
IUPAC Name: 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one
Structure
SMILES: CC(C)=C1OC2=C(C=CC3=CC(C)=NC=C23)C1=O
InChI: InChI=1S/C15H13NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-7H,1-3H3
InChIKey: KJJZKDAMKKPUPJ-UHFFFAOYSA-N
Reference
Structures of TMC-120A, B and C, novel isoquinoline alkaloids from Aspergillus ustus TC 1118
PubChem CID: 640952
CAS: 250231-81-3
LOTUS: LTS0099533
COCONUT: CNP0414656
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus pseudodeflectus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 239.274
TPSA？: 39.19
MolLogP？: 3.4122200000000014
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | LD50 | 39.0 | uM | 10.1016/j.bmcl.2004.04.039 |