Uvidin A
PubChem CID: 156765
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| Compound Synonyms | Uvidin A, (+)-uvidin A, UNII-T6FNF05DJH, T6FNF05DJH, 74636-06-9, Naphth(2,3-b)oxiren-2(1aH)-one, octahydro-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-, (1aR,2aS,6aR,7S,7aR)-, (1aR,2aS,6aR,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-2-one, NAPHTH(2,3-B)OXIREN-2(1AH)-ONE, OCTAHYDRO-7-(HYDROXYMETHYL)-3,3,6A,7A-TETRAMETHYL-, (1AR-(1A.ALPHA.,2A.ALPHA.,6A.BETA.,7.BETA.,7A.ALPHA.))-, (1aR,2aS,6aR,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-1a,2a,4,5,6,7-hexahydronaphtho(2,3-b)oxiren-2-one, CHEMBL458313, DTXSID20996153, CHEBI:201314, Q27289736, 7-(Hydroxymethyl)-3,3,6a,7a-tetramethyloctahydronaphtho[2,3-b]oxiren-2(1aH)-one, NAPHTH(2,3-B)OXIREN-2(1AH)-ONE, OCTAHYDRO-7-(HYDROXYMETHYL)-3,3,6A,7A-TETRAMETHYL-, (1AR-(1AALPHA,2AALPHA,6ABETA,7BETA,7AALPHA))- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC21 |
| Np Classifier Class | Drimane sesquiterpenoids |
| Deep Smiles | OC[C@@H][C@@]C)CCCC[C@@H]6C=O)[C@H][C@]%10C)O3)))))C)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Oxepanes |
| Scaffold Graph Node Level | OC1C2CCCCC2CC2OC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1aR,2aS,6aR,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O3 |
| Scaffold Graph Node Bond Level | O=C1C2CCCCC2CC2OC12 |
| Inchi Key | AHPUPUJYVYUVKA-BRIGZHOFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | uvidin a |
| Esol Class | Soluble |
| Functional Groups | CO, C[C@]1(C)O[C@H]1C(C)=O |
| Compound Name | Uvidin A |
| Exact Mass | 252.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11+,12+,14-,15-/m1/s1 |
| Smiles | C[C@]12CCCC([C@@H]1C(=O)[C@H]3[C@@]([C@@H]2CO)(O3)C)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3525