Neotenone
PubChem CID: 73603
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| Compound Synonyms | Neotenone, 10091-02-8, Neorautenone, 6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one, D08G5O2Y2W, NSC361413, NSC-361413, 5H-Furo(3,2-g)(1)benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-, 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo(3,2-g)(1)benzopyran-5-one, 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one, 5H-Furo[3,2-g][1]benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-, NSC 361413, UNII-D08G5O2Y2W, CHEMBL1988403, LMPK12050454, NCI60_003294, 5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 6,7-DIHYDRO-6-(2-METHOXY-4,5-(METHYLENEDIOXY)PHENYL)- |
|---|---|
| Topological Polar Surface Area | 67.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZNIBAUSQWDFGE-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -6.032 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.354 |
| Compound Name | Neotenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 338.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.303353 |
| Inchi | InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3 |
| Smiles | COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pachyrhizus Erosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pachyrhizus Tuberosus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Pachyrrhizus Erosus (Plant) Rel Props:Reference: