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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