Salvianolic Acid L
PubChem CID: 11765414
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| Compound Synonyms | Salvianolic acid L, (-)-Salvianolic acid L, 2-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid, 2-[(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalen-1-yl)carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid, 389065-74-1, Salvianolate L, 2-((3-((1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalen-1-yl)carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid, 2-(3-((1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoate, 2-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl)oxy-3-(3,4-dihydroxyphenyl)propanoic acid, 2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoate, SCHEMBL10005693, CHEBI:172806 |
|---|---|
| Topological Polar Surface Area | 289.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 52.0 |
| Description | Constituent of Salvia officinalis (sage). Salvianolic acid L is found in tea, herbs and spices, and common sage. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1320.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
| Prediction Hob | 0.0 |
| Class | Naphthalenes |
| Xlogp | 3.9 |
| Superclass | Benzenoids |
| Subclass | Phenylnaphthalenes |
| Molecular Formula | C36H30O16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLZDRNKNWXDFQT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.294 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.768 |
| Synonyms | (-)-Salvianolic acid L |
| Substituent Name | Phenylnaphthalene, Tetracarboxylic acid or derivatives, 2-naphthalenecarboxylic acid or derivatives, 1-naphthalenecarboxylic acid or derivatives, 2-naphthalenecarboxylic acid, 3-phenylpropanoic-acid, 1,2-diphenol, Phenol, Monocyclic benzene moiety, Alpha,beta-unsaturated carboxylic ester, Enoate ester, Carboxylic acid ester, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homopolycyclic compound |
| Compound Name | Salvianolic Acid L |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 718.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 718.153 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 718.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.248582461538466 |
| Inchi | InChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48) |
| Smiles | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all