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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
45
Total Number of Articles : 20
|
| PubChem |
10404245
|
| Molecular Formula |
C20H24O4 |
| SMILES |
C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC |
| InChI |
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1 |
| synonyms |
- Macelignan
- ANWULIGAN
- 107534-93-0
- Anwulignan
- (+)-Anwulignan
- austrobailignan 6
- 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
- Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-
- MLS000728494
- (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane
- 8PP3614Z43
- SMR000445701
- (+)-Anwulignan;Anwuligan
- 4-((2S,3R)-4-(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol
- UNII-8PP3614Z43
- HMS2219A18
- MFCD09953803
- Macelignan (Standard)
- CHEMBL254071
- SCHEMBL1783132
- Macelignan, >=98% (HPLC)
- BDBM90735
- CHEBI:94153
- HY-N0064R
- DTXSID00148077
- cid_10404245
- QDDILOVMGWUNGD-UONOGXRCSA-N
- HMS3886J18
- HY-N0064
- s9146
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|
| Properties |
| Property |
Value |
| MW |
328.4 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
6 |
| Exact Mass |
328.16745924 g/mol |
| Monoisotopic Mass |
328.16745924 g/mol |
| Heavy Atom Count |
24 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
388 |
| xlogp |
5.2 |
| Topological Polar Surface Area |
47.9 |
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