Cannabiripsol
PubChem CID: 192007
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cannabiripsol, 72236-32-9, 4P2CG6T3K9, (6aR,9S,10S,10aR)-9,10-Dihydroxyhexahydrocannabinol, CHEMBL3586111, DTXSID90222552, (6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol, (6AR,9S,10S,10AR)-6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6AR,9S,10S,10AR)-, 6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6AR-(6A.ALPHA.,9.BETA.,10.ALPHA.,10A.BETA.))-, 6H-Dibenzo(b,d)pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR-(6aalpha,9beta,10alpha,10abeta))-, (6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo(c)chromene-1,9,10-triol, 73639-52-8, UNII-4P2CG6T3K9, SCHEMBL13214151, DTXCID20145043, BDBM50092342, CBR |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 465.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P34972, P21554 |
| Iupac Name | (6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT1287, NPT232 |
| Xlogp | 4.1 |
| Molecular Formula | C21H32O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TZGCTXUTNDNTTE-DYZHCLJRSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -2.95 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.398 |
| Compound Name | Cannabiripsol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 348.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4971946 |
| Inchi | InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1 |
| Smiles | CCCCCC1=CC(=C2[C@H]3[C@@H](CC[C@]([C@H]3O)(C)O)C(OC2=C1)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all