| Phytochemical Name : Macelignan |
| PCNDIDM0002 |
| Pubchem CID : 10404245 |
| Molecular formula: C20H24O4 |
| Canonical SMILES : CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC |
Synonymes : Macelignan|ANWULIGAN|107534-93-0|Anwulignan|(+)-Anwulignan|4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol|(+)-Anwulignan;Anwuligan|Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-|MLS000728494|UNII-8PP3614Z43|austrobailignan 6|(8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane|8PP3614Z43|SMR000445701|Calophyn|HMS2219A18|MACELIGNAN [INCI]|CHEMBL254071|SCHEMBL1783132|Macelignan, >=98% (HPLC)|BDBM90735|CHEBI:94153|DTXSID00148077|cid_10404245|HMS3886J18|HY-N0064|MFCD09953803|s9146|AKOS037645016|CCG-267793|CS-3657|DB14129|AC-33989|AS-56147|A895427|Q-100926|Q6723225|(2r,3s)-1-(3,4-methylenedioxyphenyl)-2,3-dimethyl-4-(4-hydroxy-3-methoxyphenyl)-butane|4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol|Phenol,4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-diMethylbutyl]-2-Methoxy- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.720 |
| Log Po/w (XLOGP3) : 5.160 |
| Log Po/w (WLOGP) : 4.190 |
| Log Po/w (MLOGP) : 3.210 |
| Log Po/w (SILICOS-IT) : 4.850 |
| Consensus Log Po/w : 4.230 |