Hydroxyanigorufone
PubChem CID: 11471752
Connections displayed (default: 10).
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| Compound Synonyms | Hydroxyanigorufone, 56252-02-9, 2-hydroxy-9-(4-hydroxyphenyl)phenalen-1-one, 2-hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one, Emenolone, CHEMBL1165215, SCHEMBL20983238, CHEBI:180750, DTXSID001316177, HY-N9127, AKOS040761853, CS-0158805, 2-hydroxy-9-(p-hydroxyphenyl)-phenalen-1-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCC3CCC(C4CCCCC4)C1C23 |
| Deep Smiles | Occcccc6))cccccc6C=O)C=Cc6ccc%10)))))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Naphthalenes |
| Description | Pigment from Musa acuminata (dwarf banana). Hydroxyanigorufone is found in fruits, french plantain, and banana. |
| Scaffold Graph Node Level | OC1CCC2CCCC3CCC(C4CCCCC4)C1C23 |
| Classyfire Subclass | Phenylnaphthalenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-9-(4-hydroxyphenyl)phenalen-1-one |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.3 |
| Superclass | Benzenoids |
| Subclass | Phenylnaphthalenes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H12O3 |
| Scaffold Graph Node Bond Level | O=C1C=Cc2cccc3ccc(-c4ccccc4)c1c23 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTELDEYOMOTOBI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -5.532 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 3.122 |
| Synonyms | 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one, Emenolone, Hydroxyanigorufone, hydroxyanigorufone |
| Esol Class | Moderately soluble |
| Functional Groups | cC=C(O)C(c)=O, cO |
| Compound Name | Hydroxyanigorufone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.814954218181818 |
| Inchi | InChI=1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H |
| Smiles | C1=CC2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylnaphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Chenopodium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Diospyros Canaliculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Euclea Crispa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Musa Acuminata (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12381112 - 10. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Tiliacora Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Verbascum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all