CID 13803636
PubChem CID: 13803636
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isomedicarpin, 74560-05-7, 9-HYDROXY-3-METHOXYPTEROCARPIN, (6aR,11aR)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol, CHEMBL4061325, CHEBI:174553, DTXSID301317550, AKOS032962329, FS-9007, XI161819, (6aR,11aR)-3-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-9-ol, 3-Methoxy-9-hydroxypterocarpan, (6aR,11aR)-6a,11a-Dihydro-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-9-ol |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P18031, Q16236 |
| Iupac Name | (6aR,11aR)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHZDBBUEVZEOIY-BBRMVZONSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.905 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.226 |
| Compound Name | CID 13803636 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6388608000000002 |
| Inchi | InChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)13/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1 |
| Smiles | COC1=CC2=C(C=C1)[C@H]3[C@@H](CO2)C4=C(O3)C=C(C=C4)O |
| Nring | 12.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all