Basic information
- CAS
18110-86-6- Standard SMILES
COc1c(O)c(=O)n2c3ccccc3c3ccnc1c32- InChIKey
PGFKZUOYIFDMQJ-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.06914219
Overview
Nigakinone is a member of beta-carbolines.
Names & identifiers
- Preferred name
- 4-Methoxy-5-hydroxycanthin-6-one
- IUPAC
- 3-hydroxy-4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
- English name
- 5-Hydroxy-4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
- Molecular formula
- C15H10N2O3
- Molecular weight
- 266.25
Names & synonyms
Nigakinone18110-86-64-Methoxy-5-hydroxycanthin-6-oneJ7E73434D26H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 5-hydroxy-4-methoxy-6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-4-methoxy-3-hydroxy-4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one3-hydroxy-4-methoxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneRefChem:165813DTXCID901520832DTXSID203475055-Hydroxy-4-methoxycanthin-6-one
Show more names
1-carbomehoxy-carbolineNigakinone, 10 mM in DMSO5-HYDROXY-4-METHOXY-6H-INDOLO[3,2,1-IJ][1,5]NAPHTHYRIDIN-6-ONE
KUMUJIAN B5-Hydroxy-4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneMLS000574953HMS2269C08AC-34395UNII-J7E73434D2orb1218592orb1296091
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Melting point
- 224 · 224-225 °C
- Boiling point
- 442.7 · 442.7±45.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- solubility
- Methanol: Soluble
- pka
- 2.42 · 2.42±0.20(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- InChI
- InChI=1S/C15H10N2O3/c1-20-14-11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(19)13(14)18/h2-7,18H,1H3
- InChIKey
- PGFKZUOYIFDMQJ-UHFFFAOYSA-N
- SMILES
- N1C2=C3N(C4=C(C3=CC=1)C=CC=C4)C(=O)C(O)=C2OC
- FDA UNII
- 7 E73434D2 · J7E73434D2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses5-Hydroxy-4-methoxycanthin-7-one has the antibacterial effect.
Suppliers73 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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