Honyumine
PubChem CID: 13965865
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| Compound Synonyms | Honyumine, SJW3UM0K3D, UNII-SJW3UM0K3D, 100595-86-6, 10-Methoxy-2,2,11-trimethyl-5,9-bis(oxidanyl)pyrano(3,2-b)acridin-6-one, 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano(3,2-b)acridin-6-one, 6H-Pyrano(3,2-b)acridin-6-one, 2,11-dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-, 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one, 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano[3,2-b]acridin-6-one, 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano(3,2-b)acridin-6-one, CHEBI:174756, DTXSID001128683 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC3CCCCC3CC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COccO)cccc6nC)ccc6=O))cO)ccc6)OCC=C6))C)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Quinolines and derivatives |
| Description | Alkaloid from the root bark of Citrus grandis (pummelo). Honyumine is found in citrus. |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CC3OCCCC3CC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H19NO5 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2cc3c(cc12)C=CCO3 |
| Inchi Key | DCEKPLXGLUMXMB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Honyumine, honyumine |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, cn(c)C |
| Compound Name | Honyumine |
| Kingdom | Organic compounds |
| Exact Mass | 353.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 353.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12-15(17(10)23)18(24)11-5-6-13(22)19(25-4)16(11)21(12)3/h5-9,22-23H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acridones |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:ISBN:9788185042145