(-)-Amijiol
PubChem CID: 14890520
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-Amijiol, (-)-1(15),8-dolastadiene-4beta,14beta-diol, (5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo(f)azulene-6,9a-diol, (5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulene-6,9a-diol, CHEBI:193274, LMPR0104250001, (5aR,6R,9aS,10aR)-3-isopropyl-5a,10a-dimethyl-9-methylene-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulene-6,9a-diol, (5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[]azulene-6,9a-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulene-6,9a-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZHDYUIWBYAYXJQ-WTGUMLROSA-N |
| Fcsp3 | 0.8 |
| Logs | -6.706 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.947 |
| Compound Name | (-)-Amijiol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6147388000000005 |
| Inchi | InChI=1S/C20H32O2/c1-13(2)15-8-10-18(4)12-20(22)14(3)6-7-17(21)19(20,5)11-9-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18-,19-,20+/m1/s1 |
| Smiles | CC(C)C1=C2CC[C@@]3([C@@H](CCC(=C)[C@]3(C[C@]2(CC1)C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erysimum Crepidifolium (Plant) Rel Props:Source_db:cmaup_ingredients