| Phytochemical Name : Archangelicin |
| PCNDIDA0169 |
| Pubchem CID : 5281371 |
| Molecular formula: C24H26O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C |
Synonymes : Archangelicine|Archangelicin|UNII-903ARG2Y81|903ARG2Y81|2607-56-9|Archanagelicine|MLS000574899|2-Butenoic acid, 2-methyl-, 8,9-dihydro-8-(1-methyl-1-((2-methyl-1-oxo-2-butenyl)oxy)ethyl)-2-oxo-2H-furo(2,3-h)-1-benzopyran-9-yl ester, (8S-(8alpha(Z),9alpha(Z)))-|SMR000156245|[(8S,9R)-8-[2-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate|2-BUTENOIC ACID, 2-METHYL-, (8S,9R)-8,9-DIHYDRO-8-(1-METHYL-1-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)ETHYL)-2-OXO-2H-FURO(2,3-H)-1-BENZOPYRAN-9-YL ESTER, (2Z)-|CROTONIC ACID, 2-METHYL-, DIESTER WITH 8,9-DIHYDRO-9-HYDROXY-8-(1-HYDROXY-1-METHYLETHYL)-2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE, STEREOISOMER|CHEMBL1426896|SCHEMBL12236577|BDBM42568|cid_5281371|REGID_for_CID_5281371|DTXSID801100736|HMS2227F18|AKOS040735185|NCGC00247544-01|Q27271273|(8S,9R)-8,9-Dihydro-8-[1-methyl-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl (2Z)-2-methyl-2-butenoate|(Z)-2-methyl-2-butenoic acid [(8S,9R)-8-[2-[(Z)-2-methyl-1-oxobut-2-enoxy]propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h][1]benzopyran-9-yl] ester|(Z)-2-methylbut-2-enoic acid [(8S,9R)-2-keto-8-[1-methyl-1-[(Z)-2-methylbut-2-enoyl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-9-yl] ester|[(8S,9R)-8-[2-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl]-2-oxidanylidene-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate|2-BUTENOIC ACID, 2-METHYL-, 8,9-DIHYDRO-8-(1-METHYL-1-((2-METHYL-1-OXO-2-BUTENYL)OXY)ETHYL)-2-OXO-2H-FURO(2,3-H)-1-BENZOPYRAN-9-YL ESTER, (8S-(8.ALPHA.(Z),9.ALPHA.(Z)))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.080 |
| Log Po/w (XLOGP3) : 4.340 |
| Log Po/w (WLOGP) : 4.070 |
| Log Po/w (MLOGP) : 2.790 |
| Log Po/w (SILICOS-IT) : 4.570 |
| Consensus Log Po/w : 3.970 |