Basic information
- CAS
18604-50-7- Standard SMILES
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1- InChIKey
VADSVXSGIFBZLI-UHFFFAOYSA-N- Molecular formula
- C16H22O7
- Average molar mass
- 326.34 g/mol
- Monoisotopic mass
- 326.13655304
Overview
Citrusin C is a glycoside.
Names & identifiers
- Preferred name
- Eugenol glucoside
- IUPAC
- 2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
- English name
- EUGENYL GLUCOSIDE
- Molecular formula
- C16H22O7
- Molecular weight
- 326.34
Names & synonyms
Eugenol glucosideCitrusin [M+H]+eugenol beta-d-glucopyranosideSCHEMBL17615401CHEBI:175167Citrusin CEUGENYL GLUCOSIDE2-Methoxy-4-allylphenyl β-D-glucopyranoside4-Allyl-2-methoxyphenyl β-D-glucopyranoside4-(β-D-Glucopyranosyloxy)-3-methoxy-1-allylbenzeneβ-D-Glucopyranoside, 2-methoxy-4-(2-propen-1-yl)phenyl(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Database identifiers
- CAS
18604-50-7- PubChem CID
- 9945189
- ChEBI
CHEBI:175167
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Melting Point130 - 131 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 124 · 124-126 °C(Solv: ethanol (64-17-5))
- Boiling point
- 526.6 · 526.6±50.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.70(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- LogP
- -0.026 · -0.026 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 DX3Y0J8 · TF6DX3Y0J8
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesCitrusin C is a glycoside that can be isolated from the plants of clove, basil and cinnamon[1][2].
Suppliers20 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京狄尔格医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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