Kanzonol P
PubChem CID: 70698146
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Kanzonol P, UNII-3FU3I4IW5K, 3FU3I4IW5K, 156250-72-5, 6H-Benzofuro(3,2-C)(1)benzopyran-9-ol, 6a,11a-dihydro-1,3-dimethoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-, 6H-Benzofuro(3,2-C)(1)benzopyran-9-ol, 6a,11a-dihydro-1,3-dimethoxy-2-(3-methyl-2-butenyl)-, (6ar-cis)-, CHEBI:69097, 9-hydroxy-1,3-dimethoxy-2-prenylpterocarpan, (6aR,11aR)-9-hydroxy-1,3-dimethoxy-2-prenhylpterocarpan, (6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-9-ol, (6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol, DTXSID501111962, Q27137438, (6aR,11aR)-6a,11a-Dihydro-1,3-dimethoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-9-ol |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZCGOJWAIXQAUMW-KSFYIVLOSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.098 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.881 |
| Compound Name | Kanzonol P |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.03044868888889 |
| Inchi | InChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3/t16-,22+/m0/s1 |
| Smiles | CC(=CCC1=C(C=C2C(=C1OC)[C@H]3[C@@H](CO2)C4=C(O3)C=C(C=C4)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all