Basic information
- CAS
21087-98-9- Standard SMILES
COc1ccc2[nH]c3c4c(c(C)cc3c2c1)OC(C)(C)C=C4- InChIKey
OSERHKINMDLESD-UHFFFAOYSA-N- Molecular formula
- C19H19NO2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.14157885
Overview
Koenimbine is a member of carbazoles.
Names & identifiers
- Preferred name
- 8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
- IUPAC
- 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
- English name
- KOENIMBINE
- Molecular formula
- C19H19NO2
- Molecular weight
- 293.36
Names & synonyms
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazoleRefChem:794352Koenimbine21087-98-9KoenimbinKenimbine8-Methoxy-3,3,5-trimethyl-3,11-dihydropyrano[3,2-a]carbazolePyrano(3,2-a)carbazole, 3,11-dihydro-8-methoxy-3,3,5-trimethyl-Koenimbine?3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano(3,2-a)carbazoleNSC127152
Show more names
NSC 127152Koenimbine-RMKoenimbine (Standard)3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole8-Methoxy-3,3,5-trimethyl-3,11-dihydro-chromeno[5,6-b]indolePyrano[3,2-a]carbazole, 3,11-dihydro-8-methoxy-3,3,5-trimethyl-
orb1680586orb3140172CHEMBL2323768SCHEMBL29581663DTXSID90175317CHEBI:169698OSERHKINMDLESD-UHFFFAOYSA-NWAA08798
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Experimental & physicochemical properties
Melting Point194 - 195 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 194 · 194-195℃
- Boiling point
- 482.1 · 482.1±45.0 °C(Predicted)
- Density
- 1.193 · 1.193
- pka
- 17.02 · 17.02±0.40(Predicted)
- InChI
- InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
- InChIKey
- OSERHKINMDLESD-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C=C2)C2=C1C1C=CC(C)(C)OC=1C(C)=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36-53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319-H413
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionIsolated from the fruit of Murraya koenigii Spreng. this base is closely allied to the two preceding bases as may be seen from the structure. The ultraviolet spectrum, however, differs from that of koenimbidine, having absorption maxima at 230, 240, 300, 340 and 360 mJI. The double bond in the pyrone ring may be reduced with the formation of the dihydro derivative, m.p. 250°C.
UsesKoenimbine is a potential colon cancer medication.
Suppliers19 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
1 records
Compound notes
Loading…