Basic information
- CAS
19573-01-4- Standard SMILES
COc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12- InChIKey
PKRPFNXROFUNDE-UHFFFAOYSA-N- Molecular formula
- C17H18O7
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.10525291
Overview
Mukurozidiol is a member of psoralens.
Names & identifiers
- Preferred name
- AC1Ldcjl
- IUPAC
- 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
- English name
- BYAKANGELICIN
- Molecular formula
- C17H18O7
- Molecular weight
- 334.32
Names & synonyms
19573-01-4AC1LDCJLDTXSID00346879RefChem:1075154DTXCID80297951(Rac)-ByakangelicinByakangellicinMukurozidiol9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one9-(2,3-dihydroxy-3-methyl-butoxy)-4-methoxy-furo[3,2-g]chromen-7-one
Show more names
yakangelicinBYAKANGELICINByakangelicin 19573-01-4(Rac)-Byakangelicin, 10 mM in DMSO7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-Byakangelicin 9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-oneBjacangelicin|||Bjakangelicin|||Biacangelicin|||7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-|||Byakangelicin
C17H18O7MFCD00468051Byakangelicin [M+H]+orb1220203orb1692389(Rac)-Byakangelicin (Standard)SCHEMBL27779458HY-N0075R
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
Melting Point117 - 118 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 571.5 · 571.5±50.0 °C(Predicted)
- Density
- 1.373 · 1.373
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 13.67 · 13.67±0.20(Predicted)
- color
- Off-white to light yellow
- InChI
- 1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
- InChIKey
- PKRPFNXROFUNDE-UHFFFAOYSA-N
- SMILES
- [o]1c2c(c(c3c([o]cc3)c2OCC(O)C(O)(C)C)OC)cc[c]1=O
- FDA UNII
- 80 Z850I1 · LE80Z850I1
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P261-P264-P272-P280-P301+P312-P302+P352
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(Rac)-Byakangelicin (Standard) is the analytical standard of (Rac)-Byakangelicin. This product is intended for research and analytical applications. (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [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]
江苏永健医药科技有限公司17701422015 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
成都健腾生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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