Glyurallin A
PubChem CID: 15818598
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| Compound Synonyms | Glyurallin A, 199331-36-7, Glyurallin-a, X25VV8RRP9, 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, UNII-X25VV8RRP9, 213130-81-5, CHEMBL4638414, 3,9-Dihydroxy-1-methoxy-2-prenylpterocarpene, 1-Methoxy-2-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-C)chromene-3,9-diol, 1-Methoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 1-methoxy-2-(3-methyl-2-buten-1-yl)-, 3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol, Arizonicanol E, 3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo(8.7.0.0^(2,7).0^(11,16))heptadeca-1(10),2,4,6,11,13,15-heptaene-5,14-diol, SCHEMBL5614046, CHEBI:175509, HY-N8947, ZHA33136, BDBM50539741, AKOS040761792, CS-0149422, 3,10-Dihydroxy-9-methoxy-8-(1,1-dimethyl-2-propenyl)pterocarpan, 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzouro[3,2-c]chromene-3,9-diol, 1-Methoxy-2-(3-methylbut-2-en-1-yl)-6H-benzofuro[3,2-c]chromene-3,9-diol |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 4.7 |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEAIWNGAMDGGNB-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -3.69 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.851 |
| Compound Name | Glyurallin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.227316276923077 |
| Inchi | InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients