| Phytochemical Name : Rosmarinic acid |
| PCNDIDR0039 |
| Pubchem CID : 5281792 |
| Molecular formula: C18H16O8 |
| Canonical SMILES : C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
Synonymes : rosmarinic acid|20283-92-5|Rosemary acid|Labiatenic acid|Rosmarinicacid|Labiatic acid|(R)-rosmarinic acid|trans-Rosmarinic acid|Rosemaric acid|Rosmarinic acid racemate|Rosmarinate|Rosmarinic-acid|UNII-MQE6XG29YI|MQE6XG29YI|CCRIS 9361|RM 21A|537-15-5|ORISTRACT ROA|HSDB 7688|NPLC 0542|(R,E)-3-(3,4-dihydroxyphenyl)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)propanoic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid|CHEMBL324842|RM-21A|CHEBI:50371|NPLC-0542|DTXSID20896987|(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid|Benzenepropanoic acid, alpha-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-|C18H16O8|(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4-dihydroxyphenyl)lactic acid|3,4-Dihydroxycinnamic acid 2-ester with 3-(3,4-dihydroxyphenyl)lactic acid|R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid|(2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid|(2r)-3-(3,4-Dihydroxyphenyl)-2-{[(2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoyl]oxy}propanoic Acid|CINNAMIC ACID, 3,4-DIHYDROXY-, 2-ESTER with 3-(3,4-DIHYDROXYPHENYL)LACTIC ACID|ROSMARINIC ACID (USP-RS)|ROSMARINIC ACID [USP-RS]|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid|alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxybenzenepropanoic acid|Benzenepropanoic acid, alpha-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-|3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester|Rosmarimic acid|BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-|Benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-|Benzenepropanoic acid, .alpha.-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (.alpha.R)-|Benzenepropanoic acid, .alpha.-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [R-(E)]-|MFCD00017740|Rosmarinic acid, 2|Rosmarinic acid, 96%|bmse000648|D05PTT|ROSMARINIC ACID [MI]|MLS000697677|ROSMARINIC ACID [HSDB]|ROSMARINIC ACID [INCI]|MEGxp0_000163|SCHEMBL1650675|SCHEMBL2028694|ACon1_001068|CHEBI:92370|cid_5281792|3-(3,4-dihydroxyphenyl)-2-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)propanoic acid|DTXCID801326415|HMS2227A13|HMS3266D13|HMS3411K16|HMS3649C22|HMS3675K16|HMS3885I15|HY-N0529|BDBM50133496|s3612|ZB1872|AKOS015892734|CCG-207919|CCG-208268|NCGC00169708-01|AC-33965|AS-35341|Benzenepropanoic acid,a-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-,(aR)-|SMR000445579|LS-175479|C01850|EN300-364852|ROSMARINIC ACID (CONSTITUENT OF ROSEMARY)|A814378|SR-01000946599|Q-100246|SR-01000946599-1|(2R)-O-caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid|Q50380051|F0001-0715|ROSMARINIC ACID (CONSTITUENT OF HOLY BASIL LEAF)|ROSMARINIC ACID (CONSTITUENT OF ROSEMARY) [DSC]|93B6A3BF-927D-4C59-8A49-29BDBC87C194|Rosmarinic acid, primary pharmaceutical reference standard|ROSMARINIC ACID (CONSTITUENT OF HOLY BASIL LEAF) [DSC]|Rosmarinic acid, European Pharmacopoeia (EP) Reference Standard|Rosmarinic acid, >=98% (HPLC), from Rosemarinus officinalis L.|Rosmarinic acid, United States Pharmacopeia (USP) Reference Standard|(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoicacid|(R)-2-[3-(3,4-Dihydroxyphenyl)acryloyloxy]-3-(3,4-dihydroxyphenyl)propionic acid|(R,E)-3-(3,4-dihydroxyphenyl)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)propanoicacid|(R,E)-3-(3,4-dihydroxyphenyl)-2-(3-(3,4-dihydroxyphenyl)acryloyloxy)propanoic acid|3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHYL ESTER|alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-benzenepropanoic acid|(2R)-3-(3,4-DIHYDROXYPHENYL)-2-{[3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}PROPANOIC ACID|(alpha R)-alpha-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid|[R-(+)]-?-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxybenzenepropanoic acid|162281-84-7|BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-|BENZENEPROPANOIC ACID, alpha-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (alphaR)-|BENZENEPROPANOIC ACID, alpha-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (alphaR)-|Propanoic acid, 3- (3, 4- dihydroxyphenyl)- 2- [3- (3, 4- dihydroxyphenyl)- 1- oxo- 2- propenyloxy]- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.170 |
| Log Po/w (XLOGP3) : 2.360 |
| Log Po/w (WLOGP) : 1.650 |
| Log Po/w (MLOGP) : 0.900 |
| Log Po/w (SILICOS-IT) : 1.500 |
| Consensus Log Po/w : 1.520 |

