Lepachol acetate
PubChem CID: 276204
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| Compound Synonyms | Lepachol acetate, 957-78-8, Vitamin MK 1, Vitamin K2(5), Menaquinone 1, Vitamins (K2(5)), 1,4-Naphthoquinone, 2-methyl-3-(3-methyl-2-butenyl)-, 2-methyl-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione, 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione, 3-methyl-2-(3-methylbut-2-enyl)naphthalene-1,4-dione, DTXSID90298499, 1,4-Naphthalenedione, 2-methyl-3-(3-methyl-2-butenyl)-, a menaquinone, menaquinone-1, 2-Methyl-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione, 2-Methyl-3-(3-methyl-2-butenyl)-1,4-naphthalenedione, 2-Methyl-3-(3-methyl-2-butenyl)-1,4-naphthoquinone, Menaquinone 1, NSC 123509, Vitamin MK 1, SCHEMBL8708046, CHEMBL1807061, DTXCID20249636, NSC123509, NSC-123509, (2-methyl-3-prenyl-1,4-naphthoquinone), 1, 2-methyl-3-(3-methyl-2-butenyl)-, 2-Methyl-3-(3-methyl-2-butenyl)naphthoquinone, 2-Methyl-3-(3-methyl-2-butenyl)naphthoquinone #, 2-Methyl-3-(3-methyl-2-butenyl)-1,4-naphthalenedione, 2-methyl-3-(3-methyl-but-2-enyl)-naphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | True |
| Molecular Formula | C16H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABSPRNADVQNDOU-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Lepachol acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 240.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.561339066666666 |
| Inchi | InChI=1S/C16H16O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8H,9H2,1-3H3 |
| Smiles | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all