Phyto4Health

Tryptanthrin

Representations & DB's id
ChEBI: CHEBI:9768
ChEMBL: CHEMBL306946
PubChem: 73549
IUPAC: indolo[2,1-b]quinazoline-6,12-dione
Standard InChI: InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
Standard InChI Key: VQQVWGVXDIPORV-UHFFFAOYSA-N
SMILES: O=C1c2nc3ccccc3c(=O)n2c2c1cccc2

Molecular propeties
AlogP: 1.93
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 4
Molecular Weight: 248.06
Topological polar surface area: 49.7
Number of aromatic rings: 3
Fsp3: 0
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantZea mays
PlantZea mays
PlantNicotiana tabacum
PlantNicotiana tabacum
PlantHordeum vulgare
PlantHordeum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency354.8 nMPrelamin-A/CP02545
Potency11220.2 nMHuntingtinP42858
Potency31622.8 nMHistone-lysine N-methyltransferase MLLQ03164
Potency3162.3 nMRas-related protein Rab-9AP51151
Potency17782.8 nMMicrotubule-associated protein tauP10636
Potency2818.4 nMNiemann-Pick C1 proteinO15118
Potency5173.5 nMNuclear factor erythroid 2-related factor 2Q16236
Potency10000 nMHistone acetyltransferase GCN5Q92830
Potency1635.3 nMATPase family AAA domain-containing protein 5Q96QE3
IC5064 nMCyclooxygenase-2P35354
IC50150 nMArachidonate 5-lipoxygenaseP09917
Others4.54 %DNA topoisomerase II alphaP11388
Potency1158.2 nMGemininO75496
IC5064 nMCyclooxygenase-2P35354
Others12 %Cytochrome P450 3A4P08684
Others9 %Cytochrome P450 2C19P33261
Others25 %Cytochrome P450 2C9P11712
IC5053.7 nMIndoleamine 2,3-dioxygenaseP14902
IC507150 nMIndoleamine 2,3-dioxygenaseP14902
Ki4810 nMIndoleamine 2,3-dioxygenaseP14902