Mycosinol
PubChem CID: 5281153
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| Compound Synonyms | Mycosinol, 111768-19-5, (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-ol, CHEBI:7038, C08455, (2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol, NSC653382, (E)-7-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-ol, AC1NQY4E, CHEMBL1968944, NSC-653382, Q27107429 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C13H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZRGCIPZQGXDCM-IZZDOVSWSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -2.563 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.377 |
| Compound Name | Mycosinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 214.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1950639999999995 |
| Inchi | InChI=1S/C13H10O3/c1-2-3-4-5-6-11-7-9-13(16-11)12(14)8-10-15-13/h6-10,12,14H,1H3/b11-6+ |
| Smiles | CC#CC#C/C=C/1\C=CC2(O1)C(C=CO2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleostephus Myconis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all