(E)-Eremophila-1(10),7(11)-dien-12-ol
PubChem CID: 6428372
Connections displayed (default: 10).
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| Compound Synonyms | (E)-Eremophila-1(10),7(11)-dien-12-ol, SCHEMBL18289196 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2E)-2-[(8R,8aS)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ylidene]propan-1-ol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | FXWSXJNUPFBCMQ-GDULLBNJSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (E)-Eremophila-1(10),7(11)-dien-12-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1751072000000002 |
| Inchi | InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,12,16H,4-5,7-10H2,1-3H3/b13-11+/t12-,15+/m1/s1 |
| Smiles | C[C@@H]1CCC=C2[C@]1(C/C(=C(\C)/CO)/CC2)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cussonia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients