2,3-Dihydroxybisabola-4,10-diene
PubChem CID: 14633006
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 129673-87-6, 3,4-Dihydroxybisabola-1,10-diene, 2,3-Dihydroxybisabola-4,10-diene, CHEBI:67820, (1S,2S,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol, 3-Cyclohexene-1,2-diol, 5-[(1S)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-, (1S,2S,5R)-, CHEMBL1775016, DTXSID401139284, AKOS040761066, CS-0149426, Q27136296, (1S,2S,5R)-5-[(1S)-1,5-Dimethyl-4-hexen-1-yl]-2-methyl-3-cyclohexene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRFJMOGROZTYPC-XGUBFFRZSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.772 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.441 |
| Compound Name | 2,3-Dihydroxybisabola-4,10-diene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1266002000000004 |
| Inchi | InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3/t12-,13+,14-,15-/m0/s1 |
| Smiles | C[C@@H](CCC=C(C)C)[C@H]1C[C@@H]([C@@](C=C1)(C)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cupania Cinerea (Plant) Rel Props:Source_db:npass_chem_all