| Phytochemical Name : Rotundine |
| PCNDIDR0043 |
| Pubchem CID : 5417 |
| Molecular formula: C21H25NO4 |
| Canonical SMILES : COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
Synonymes : tetrahydropalmatine|2934-97-6|10097-84-4|DL-Tetrahydropalmatine|corydalis B|ROTUNDINUM|(+-)-Corydalis B|Hyndarin|2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline|UNII-78F8583LNQ|Tetrahydropalmatine, (+/-)-|CHEMBL187892|78F8583LNQ|2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline|6H-Dibenzo[a,g]quinolizine,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-|2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline|GNF-Pf-3943|6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (+-)-|Tetrahydropalmatine, dl-|dl-Tetrahydropalmatine hydrochloride|Tetrahydropalmatine (6CI)|6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-|Tetrahydropalmatine hydrochloride, (+/-)-|Sodiumgluconate|O(C)c1cc2c(CCN3Cc4c(ccc(OC)c4OC)CC23)cc1OC|Berbine, 2,3,9,10-tetramethoxy-, hydrochloride, (.+.)-|(-)-Tetrahydropalmatine;L-Tetrahydropalmatine|Spectrum_001554|SpecPlus_000956|6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (.+.)-|Spectrum2_000736|Spectrum3_001650|Spectrum4_001749|Spectrum5_000578|Tetrahydropalmatine ,(S)|(.+/-.)-Corydalis B|Oprea1_616043|Oprea1_801288|BSPBio_003379|KBioGR_002198|KBioSS_002034|MLS006011812|DivK1c_007052|SCHEMBL230849|SPECTRUM1504178|SPBio_000692|(.+/-.)-Tetrahydropalmatine|MEGxp0_000623|ACon1_002069|CHEBI:91709|KBio1_001996|KBio2_002034|KBio2_004602|KBio2_007170|KBio3_002599|DTXSID20864207|HMS3428E01|HMS3886C12|BCP13567|HY-N0300|BBL028394|BDBM50170666|CCG-40142|MFCD00214191|s5559|STK395032|AKOS000276804|AKOS016186982|FD10012|SDCCGMLS-0015237.P002|NCGC00073008-02|NCGC00073008-03|NCGC00073008-04|NCGC00095840-01|NCGC00095840-02|NCGC00095840-03|AS-12924|SMR004703491|FT-0601094|FT-0634567|FT-0674470|FT-0675040|T3650|A19519|AB00053100-09|Berbine, 2,3,9,10-tetramethoxy-, (.+.)-|A819879|Berbine, 2,3,9,10-tetramethoxy-, (.+/-.)-|BRD-A43940795-001-02-8|BRD-A43940795-001-03-6|Q27163527|5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H- dibenzo[a,g]quinolizine|2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;Rotundine|6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (.+.)-|6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (.+/-.)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.670 |
| Log Po/w (XLOGP3) : 3.240 |
| Log Po/w (WLOGP) : 2.520 |
| Log Po/w (MLOGP) : 2.200 |
| Log Po/w (SILICOS-IT) : 3.750 |
| Consensus Log Po/w : 3.080 |