Basic information
- CAS
4382-33-6- Standard SMILES
O=C1c2ccc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O- InChIKey
VSJCDPYIMBSOKN-UHFFFAOYSA-N- Molecular formula
- C15H12O7
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.05830272
Overview
Dihydrorobinetin has been reported in Robinia pseudoacacia and Adenanthera pavonina with data available.
Names & identifiers
- Preferred name
- Dihydrorobinetin
- IUPAC
- 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
- English name
- 2,3-Dihydrorobinetin
- Molecular formula
- C15H12O7
- Molecular weight
- 304.25
Names & synonyms
Dihydrorobinetin3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one3,7,3',4',5'-PentahydroxyflavanoneRefChem:3976902,3-Dihydrorobinetin93432-80-5Robinetin, dihydro-70460-55-8NSC592664H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-oneHydrorobinetin
Show more names
ROBINETINROBINETIN(SH)(+)-DihydrorobinetinDIHYDROROBINETIN, 2,3-3,3’,4’,5’,7-pentahydroxy-,(r,r)-(+)-flavanon(2R,3R)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroMan-4-one
FLAVANONE DER.3,3',4',5',7-PentahydroxyflavanoneFLAVANONE, 3,3',4',5',7-PENTAHYDROXY-, (R,R)-(+)-MFCD00016957EINECS 224-486-0NSC 59266DIHYDROBINETINSCHEMBL432880
Database identifiers
- CAS
4382-33-6、93432-80-5
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Melting point
- 260 °C · 260°C (dec.)
- Boiling point
- 702.4 · 702.4±60.0 °C(Predicted)
- Density
- 1.702 · 1.702±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.58 · 7.58±0.60(Predicted)
- form
- Solid
- color
- White to off-white
- LogP
- 0.8 · 0.800 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Risk Statements
- 22 · 22
- Safety Statements
- 2 · 2-45
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 2-45
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses(+)-Dihydrorobinetin is a chemical marker of vinegars aging in Robinia pseudoacacia. +)-Dihydrorobinetin has antioxidant activity[1].
Upstream & downstream products
Downstream products
Suppliers43 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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