Glycycarpan
PubChem CID: 56925919
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Glycycarpan, WHP2V35GJ6, CHEBI:69090, 1346768-08-8, 9-Hydroxy-1-methoxy-8-(3-hydroxy-3-methylbutyl)-6,6-dimethyl-4,5-dihydro-(6H)-pyrano(2,3:3,2)-pterocarpan, 1H,7H-Benzofuro(3,2-C)pyrano(3,2-g)(1)benzopyran-9-propanol, 2,3,7a,12a-tetrahydro-10-hydroxy-13-methoxy-alpha,alpha,3,3-tetramethyl-, (7aR,12aR)-, (7aR,12aR)-9-(3-hydroxy-3-methylbutyl)-13-methoxy-3,3-dimethyl-2,3,7a,12a-tetrahydro-1H,7H-(1)benzofuro(3,2-c)pyrano(3,2-g)chromen-10-ol, (7aR,12aR)-9-(3-hydroxy-3-methylbutyl)-13-methoxy-3,3-dimethyl-2,3,7a,12a-tetrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromen-10-ol, 9-hydroxy-1-methoxy-8-(3-hydroxy-3-methylbutyl)-6',6'-dimethyl-4',5'-dihydro-(6H)-pyrano(2',3':3,2)-pterocarpan, 9-hydroxy-1-methoxy-8-(3-hydroxy-3-methylbutyl)-6',6'-dimethyl-4',5'-dihydro-[6H]-pyrano[2',3':3,2]-pterocarpan, UNII-WHP2V35GJ6, DTXSID601101964, Q27137431, (7AR,12AR)-2,3,7A,12A-TETRAHYDRO-10-HYDROXY-13-METHOXY-.ALPHA.,.ALPHA.,3,3-TETRAMETHYL-1H,7H-BENZOFURO(3,2-C)PYRANO(3,2-G)(1)BENZOPYRAN-9-PROPANOL, (7aR,12aR)-2,3,7a,12a-Tetrahydro-10-hydroxy-13-methoxy-alpha,alpha,3,3-tetramethyl-1H,7H-benzofuro(3,2-C)pyrano(3,2-g)(1)benzopyran-9-propanol, (7aR,12aR)-2,3,7a,12a-Tetrahydro-10-hydroxy-13-methoxy-I+/-,I+/-,3,3-tetramethyl-1H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-9-propanol, 1H,7H-BENZOFURO(3,2-C)PYRANO(3,2-G)(1)BENZOPYRAN-9-PROPANOL, 2,3,7A,12A-TETRAHYDRO-10-HYDROXY-13-METHOXY-.ALPHA.,.ALPHA.,3,3-TETRAMETHYL-, (7AR,12AR)- |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,10R)-7-(3-hydroxy-3-methylbutyl)-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaen-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C26H32O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HNUJQUYWDAIHPF-BXKMTCNYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -4.29 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.693 |
| Compound Name | Glycycarpan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 440.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1930232 |
| Inchi | InChI=1S/C26H32O6/c1-25(2,28)8-6-14-10-16-17-13-30-21-12-20-15(7-9-26(3,4)32-20)23(29-5)22(21)24(17)31-19(16)11-18(14)27/h10-12,17,24,27-28H,6-9,13H2,1-5H3/t17-,24+/m0/s1 |
| Smiles | CC1(CCC2=C(C3=C(C=C2O1)OC[C@@H]4[C@H]3OC5=C4C=C(C(=C5)O)CCC(C)(C)O)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients