| Phytochemical Name : 4'-Demethylpodophyllotoxin |
| PCNDIDOT0836 |
| Pubchem CID : 122667 |
| Molecular formula: C21H20O8 |
| Canonical SMILES : COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
Synonymes : 4'-Demethylpodophyllotoxin|40505-27-9|(5R,5aR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one|4-Demethylpodophyllotoxin|BRN 0099005|4'-O-demethylpodophyllotoxin|CHEBI:1730|(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one|UNII-7N5E50463V|MFCD01725607|7N5E50463V|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-|(5R,5aR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one|4-Demethyl-Podophyllotoxin|5-19-10-00665 (Beilstein Handbook Reference)|4\\'-demethylpodophyllotoxin|4'-Demethyl-Podophyllotoxin|CHEMBL28941|O(4')-demethylpodophyllotoxin|SCHEMBL12278154|DTXSID201311785|HY-N2323|s3908|AKOS015895546|CCG-268651|FD10224|AC-34637|AS-58706|LS-70854|CS-0020771|J-515253|Q27105499|(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one|(5R,5AR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one|5,8,8a,9,-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one|FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9R)-|Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.810 |
| Log Po/w (XLOGP3) : 1.680 |
| Log Po/w (WLOGP) : 1.780 |
| Log Po/w (MLOGP) : 1.210 |
| Log Po/w (SILICOS-IT) : 2.360 |
| Consensus Log Po/w : 1.970 |

