Norbraylin
PubChem CID: 10105863
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| Compound Synonyms | Norbraylin, 60796-64-7, 6-Hydroxy-8,8-dimethylpyrano[2,3-f]chromen-2-one, CHEMBL3235995, 6-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 6-hydroxy-8,8-dimethylpyrano(2,3-f)chromen-2-one, SCHEMBL25619757, DTXSID401346491, HY-N3180, KCA79664, BDBM50008739, AKOS027257455, FS-8867, DA-66184, CS-0023514, 6-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b, E88723, 6-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-2-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCC3CCCCC3C2C1 |
| Np Classifier Class | Pyranocoumarins, Simple coumarins |
| Deep Smiles | CCC)C=CccO6)cO)ccc6oc=O)cc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Coumarins and derivatives |
| Scaffold Graph Node Level | OC1CCC2CCC3OCCCC3C2O1 |
| Classyfire Subclass | Pyranocoumarins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q08499 |
| Iupac Name | 6-hydroxy-8,8-dimethylpyrano[2,3-f]chromen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccc3c(c2o1)C=CCO3 |
| Inchi Key | OYPWMLRFDXSKJG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | norbraylin |
| Esol Class | Soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, coc |
| Compound Name | Norbraylin |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O4/c1-14(2)6-5-9-12-8(3-4-11(16)17-12)7-10(15)13(9)18-14/h3-7,15H,1-2H3 |
| Smiles | CC1(C=CC2=C3C(=CC(=C2O1)O)C=CC(=O)O3)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Toddalia Asiatica (Plant) Rel Props:Source_db:npass_chem_all