1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan
PubChem CID: 99091
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| Compound Synonyms | 1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan, MLS000877028, SMR000440663, 3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan, 80780-43-4, Compound NP-002027, cid_99091, MEGxp0_000712, MEGxp0_001362, CHEMBL1412125, SCHEMBL17385625, ACon1_000778, BDBM69394, DTXSID40868888, CHEBI:182352, HRLFUIXSXUASEX-UHFFFAOYSA-N, (+)-O,O-Dimethyl lirioresinol-B, HMS2268L24, NAA06014, NSC83441, ZAA19264, NSC-83441, NSC172767, AKOS040740015, NSC-172767, NCGC00169368-01, NS00097002, BRD-A34855957-001-01-5, 3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran, 1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-, (1S,3aR,4S,6aR)-, 1H,3H-Furo[3,4-c]furan, 3a.alpha.,4,6,6a.alpha.-tetrahydro-1.alpha.,4.alpha.-bis(3,4,5-trimethoxyphenyl)-, 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-, 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-(+)-, 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 73.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q962Y6, Q96QE3, Q9UBT6, P84022, O75496, Q9NUW8 |
| Iupac Name | 3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan |
| Prediction Hob | 1.0 |
| Class | Furanoid lignans |
| Xlogp | 2.9 |
| Superclass | Lignans, neolignans and related compounds |
| Molecular Formula | C24H30O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HRLFUIXSXUASEX-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.133 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.072 |
| Synonyms | (1S-(1alpha,3Aalpha,4alpha,6aalpha))-isomer OF epiyangambin, Yangambin, Epi-yangambin |
| Compound Name | 1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 446.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.194 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 446.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.172175200000002 |
| Inchi | InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Furanoid lignans |
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