Basic information
- CAS
37126-91-3- Standard SMILES
C=C(C)[C@H](O)[C@H](O)c1c(OC)ccc2ccc(=O)oc12- InChIKey
DKEANOQWICTXTP-UONOGXRCSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Overview
Murrangatin has been reported in Glycosmis pentaphylla, Murraya alata, and other organisms with data available.
Names & identifiers
- Preferred name
- 8-[(1R,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
- IUPAC
- 8-[(1R,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
- English name
- Murrangatin
- Molecular formula
- C15H16O5
- Molecular weight
- 276.29
Names & synonyms
8-[(1R,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-oneorb1682074CHEMBL3426680DTXSID30958323GLXC-176218-[(1S,2S)-1,2-Dihydroxy-3-methyl-3-buten-1-yl]-7-methoxy-2H-1-benzopyran-2-one; (+)-MurpanidinHY-N3233TN4592AKOS032948520FS-9130CS-0023681
Show more names
Murrangatin2H-1-Benzopyran-2-one,8-[(1R,2S)-1,2-dihydroxy-3-methyl-3-buten-1-yl]-7-methoxy-, rel-(-)-
8-(1,2-Dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-1-benzopyran-2-one8-[(1R,2S)-1,2-Dihydroxy-3-methylbut-3-en-1-yl]-7-methoxy-2H-1-benzopyran-2-one
Database identifiers
- CAS
37126-91-3- PubChem CID
- 181514
- DTXSID
DTXSID30958323- ChEMBL
CHEMBL3426680
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 500.8 · 500.8±50.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 13.01 · 13.01±0.20(Predicted)
- FDA UNII
- 3 SF8Z2MIQD · 3SF8Z2MIQD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
UsesMurrangatin, is one of the naturally occurring isoprenylated coumarins that has shown to have multiple biological activities such as anti tumor, antibacterial, insecticidal, analgesic and antiinflammatory.
Suppliers32 total
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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