(-)-Glycinol
PubChem CID: 129648
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| Compound Synonyms | (-)-Glycinol, 69393-95-9, 3,6,9-Trihydroxypterocarpan, 3,6a,9-Trihydroxypterocarpan, (6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol, Q0O9HGR94O, (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol, (6aS,11aS)-3,6a,9-Trihydroxypterocarpan, (6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan, 6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol, (6aS-cis)-, UNII-Q0O9HGR94O, C01263, SCHEMBL4549087, CHEBI:15649, DTXSID20989207, LMPK12070128, AKOS040763562, FS-8236, DA-69888, HY-139800, CS-0255559, Q10910862, 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, (6aS,11aS)-6a,11a-Dihydro-6H-benzofuro[3,2-c]chromene-3,6a,9-triol, (6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol, 6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-3,6A,9(11AH)-TRIOL, (6AS,11AS)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Pterocarpan |
| Deep Smiles | Occcccc6)OC[C@@][C@H]6Occ5cccc6)O))))))))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | C1CCC2C(C1)OC1C3CCCCC3OCC21 |
| Classyfire Subclass | Furanoisoflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O5 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)OC1c3ccccc3OCC21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMXOFBXZEKTJIK-LSDHHAIUSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -3.652 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.122 |
| Synonyms | (-)-glycinol |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | (-)-Glycinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.2823871999999996 |
| Inchi | InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1 |
| Smiles | C1[C@@]2([C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all