(-)-Rosmarinic Acid
Representations & DB's id
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| ChEBI: | CHEBI:50372 | |
|---|---|---|
| ChEMBL: | CHEMBL3098862 | |
| PubChem: | 639655 | |
| IUPAC: | (2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | |
| Standard InChI: | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m0/s1 | |
| Standard InChI Key: | DOUMFZQKYFQNTF-GIZXNFQBSA-N | |
| SMILES: | O=C(O[C@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 145 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 18 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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