2-Hydroxy-3-(2-methyl-1-propenyl)-1,4-naphthoquinone
PubChem CID: 231114
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| Compound Synonyms | Norlapachol, 15297-99-1, Nor-Lapachol, 4-hydroxy-3-(2-methylprop-1-enyl)naphthalene-1,2-dione, 2-HYDROXY-3-(2-METHYL-1-PROPENYL)-1,4-NAPHTHOQUINONE, NSC26696, 1,4-Naphthalenedione,2-hydroxy-3-(2-methyl-1-propen-1-yl)-, 2-hydroxy-3-(2-methylprop-1-enyl)naphthalene-1,4-dione, 2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione, 1,4-Naphthoquinone, 2-hydroxy-3-(2-methylpropenyl)-, CHEMBL374724, SCHEMBL6414190, DTXSID70282593, HXRBQSOSCSKMTM-UHFFFAOYSA-N, 1,4-Naphthalenedione, 2-hydroxy-3-(2-methyl-1-propenyl)-, NSC-26696, AKOS022506651, 1, 2-hydroxy-3-(2-methylpropenyl)-, 1, 2-hydroxy-3-(2-methyl-1-propenyl)-, 2-Hydroxy-3-(2-methyl-1-propenyl)naphthoquinone #, 2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthoquinone, 661-711-5 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3-(2-methylprop-1-enyl)naphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JCBLOUSNKOCZTD-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.261 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.676 |
| Compound Name | 2-Hydroxy-3-(2-methyl-1-propenyl)-1,4-naphthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0064078705882356 |
| Inchi | InChI=1S/C14H12O3/c1-8(2)7-11-12(15)9-5-3-4-6-10(9)13(16)14(11)17/h3-7,15H,1-2H3 |
| Smiles | CC(=CC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients