Basic information
- CAS
6926-08-5- Standard SMILES
C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21- InChIKey
XUWSHXDEJOOIND-YYDKPPGPSA-N- Molecular formula
- C15H24O10
- Average molar mass
- 364.34 g/mol
- Monoisotopic mass
- 364.13694696
Overview
harpagide has been reported in Caryopteris incana, Scrophularia buergeriana, and other organisms with data available.
Names & identifiers
- Preferred name
- Harpagide
- IUPAC
- (1S,4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
- English name
- Harpagide
- Molecular formula
- C15H24O10
- Molecular weight
- 364.35
Names & synonyms
Harpagide6926-08-5OF59XHX7SRDTXSID30988983(1S,4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol(1S,4aS,5R,7S,7aR)-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,5,6,7a-tetrahydrocyclopenta(c)pyran-4a,5,7-triolRefChem:37991DTXCID201416115230-050-0Harpagide (90%)EINECS 230-050-0Harpagide (Standard)
Show more names
Harpagide, 98%, from Harpagophytum procumbens D.C.HabasidhapagideHARPAGIDE(P)20-deoxyingemolHarpagide, 10 mM in DMSOinhibit,Harpagide,Inhibitor,Parasite
Cefaclor Impurity 124UNII-OF59XHX7SRCHEMBL464889SCHEMBL1425414HY-N0397RHY-N0397AKOS032428101CCG-268210
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Boiling point
- 637.1 · 637.1±55.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in methanol and water
- form
- powder
- pka
- 12.1 · 12.10±0.70(Predicted)
- color
- Colorless-light yellow
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- SKIN PROTECTINGSKIN CONDITIONING
- InChI
- 1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1
- InChIKey
- XUWSHXDEJOOIND-YYDKPPGPSA-N
- SMILES
- O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C[C@@]3([C@H]2[C@](C[C@H]3O)(O)C)O
- LogP
- -3.69 · -3.690 (est)
- FDA UNII
- 59 XHX7SR · OF59XHX7SR
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesHarpagide is an iridoid glycoside along with Harpagoside (H105275) with the potential to be strong anti-inflammatory agents providing the bulk of the observed effects from their plant origins.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [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]
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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