Epiyangambin
PubChem CID: 10049223
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| Compound Synonyms | Epiyangambin, 24192-64-1, O,O-Dimethyllirioresinol A, Lirioresinol A, dimethyl-, Lirioresinol A dimethyl ether, Lirioresinol A, O,O-dimethyl-, NSC 172767, 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S-(1alpha,3aalpha,4beta,6aalpha))-, (3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan, Epi-yangambin, (3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan, CHEMBL510536, MEGxp0_001363, ACon1_001856, DTXSID401035064, AKOS040761692, NCGC00180070-01, HY-121377, CS-0081825, BRD-K29039292-001-01-5, 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1R,3aR,4S,6aR)- |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C24H30O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HRLFUIXSXUASEX-WWLNLUSPSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.949 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.03 |
| Compound Name | Epiyangambin |
| 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 |
| 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/t15-,16-,21-,22+/m0/s1 |
| Smiles | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hernandia Guianensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Hernandia Nymphaeifolia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Hernandia Ovigera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hernandia Peltata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Hernandia Sonora (Plant) Rel Props:Reference: