(-)-Rel-acora-2,4(14),8-trien-15-oic acid
PubChem CID: 51040470
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| Compound Synonyms | CHEBI:69963, (-)-rel-acora-2,4(14),8-trien-15-oic acid, CHEMBL1689208, Q27138308 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NNQORNHPOYUTFB-ZFWWWQNUSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.053 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.694 |
| Compound Name | (-)-Rel-acora-2,4(14),8-trien-15-oic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4416025999999995 |
| Inchi | InChI=1S/C15H20O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,17)/t13-,15-/m0/s1 |
| Smiles | CC(C)[C@@H]1C=CC(=C)[C@]12CCC(=CC2)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Metasequoia Glyptostroboides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all