Galangin
PubChem CID: 5281616
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| Compound Synonyms | Galangin, 548-83-4, Norizalpinin, 3,5,7-Trihydroxyflavone, 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one, 3,5,7-triOH-Flavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-, 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone, 3,5,7-trihydroxy-2-phenylchromen-4-one, teptochrysin, FLAVONE, 3,5,7-TRIHYDROXY-, NSC-407229, 4H-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-, UNII-142FWE6ECS, EINECS 208-960-4, 142FWE6ECS, MFCD00006833, NSC 407229, 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one, BRN 0272179, CCRIS 8471, CHEBI:5262, GALANGIN [MI], NSC407229, 3,5,7-Trihydroxy-Flavone, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, CHEMBL309490, DTXSID70203288, 5-18-04-00567 (Beilstein Handbook Reference), TNP00099, Norizalpinin, 3,5,7-Trihydroxyflavone, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI, Galangin,(S), Galangin (Standard), 3,7-Trihydroxyflavone, 5,7-Dihydroxyflavonol, GALANGIN [INCI], 3,5,7-trihydroxy-2-phenyl-chromen-4-one, GTPL410, MLS002473087, SCHEMBL117225, MEGxp0_000533, ACon1_000977, cid_5281616, HY-N0382R, DTXCID70125779, HMS2268D24, EX-A4261, HY-N0382, BDBM50049391, LMPK12111653, s5529, Galangin, autophagy inducing flavonoid, AKOS003672546, 1ST7408, AC-6383, CCG-208629, CS-5619, FG40127, NCGC00017220-01, NCGC00017220-02, NCGC00017220-03, NCGC00142457-01, NCGC00169794-01, AS-14766, SMR000112582, G0370, NS00018339, 3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one, 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-phenyl-, SR-05000002165, Q2456591, SR-05000002165-2, BRD-K16503581-001-01-5, BRD-K16503581-001-04-9, Z1980554245, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-(9CI), 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9CI) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | OcccO)ccc6)occc6=O))O))cccccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Flavonoids |
| Description | Constituent of Galanga root (Alpinia officinarum). Galangin is found in many foods, some of which are apple, garden onion (variety), sweet orange, and grape wine. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P29274, P21447, P0DMS8, P25099, P30543, P28647, P0AES4, Q965D6, n.a., P06239, P47989, P11511, P04150, P10275, P06276, P22303, O42713, P04798, P05177, Q16678, Q03164, P10636, P33261, P08684, P10635, P11712, P87108, P32897, Q96QE3, P08183, Q9UNA4, P84022, P35503, P22310, P19224, O60656, P54855, O75496, O94925, P38398, O42275, P81908, Q86831, P36888, Q9NUW8, P00918, P00915, P22748, P43166, O43570, O75874, P05067, Q15118, P21397, P27338, Q4QEW7, Q9UL62, P04191, P0DTD1, Q8WTS6, P09467 |
| Iupac Name | 3,5,7-trihydroxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT217, NPT218, NPT967, NPT441, NPT439, NPT204, NPT1603, NPT208, NPT1604, NPT51, NPT213, NPT109, NPT110, NPT212, NPT1062, NPT955, NPT949, NPT261, NPT582 |
| Xlogp | 2.3 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O5 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCCRNZQBSJXYJD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.491 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.497 |
| Synonyms | 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI, 3,5,7-Trihydroxy-2-phenyl-4H-benzopyran-4-one, 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one, 3,5,7-Trihydroxy-flavone, 3,5,7-Trihydroxyflavone, 3,5,7-TriOH-flavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9ci), 5,7-Dihydroxyflavonol, Galangin, Norizalpinin, Teptochrysin, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci, 3,5,7-trihydroxyflavone, galangin |
| Substituent Name | 3-hydroxyflavone, Hydroxyflavonoid, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 3-hydroxyflavonoid, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Galangin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| 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 |
| Esol | -3.4904879999999996 |
| Inchi | InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H |
| Smiles | C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Flavonols |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:ISBN:9788172362140 - 3. Outgoing r'ship
FOUND_INto/from Aglaia Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Artemisia Rehan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Artocarpus Lacucha (Plant) Rel Props:Reference:ISBN:9788172363130 - 11. Outgoing r'ship
FOUND_INto/from Avrainvillea Longicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Bryum Argenteum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Callicarpa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Cladrastis Platycarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Coprosma Areolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Datisca Cannabina (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042053; ISBN:9788185042084 - 19. Outgoing r'ship
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FOUND_INto/from Entada Phaseoloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
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FOUND_INto/from Euphorbia Amygdaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11696898 - 25. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Gmelina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Helichrysum Cephaloideum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Hemionitis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Hesperis Matronalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Hypericum Balearicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Jackiella Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
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FOUND_INto/from Populus Deltoides (Plant) Rel Props:Reference:ISBN:9788185042145 - 51. Outgoing r'ship
FOUND_INto/from Populus Nigra (Plant) Rel Props:Reference:ISBN:9788185042084 - 52. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8116840 - 53. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
FOUND_INto/from Rhus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 55. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21229237 - 56. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 58. Outgoing r'ship
FOUND_INto/from Sedum Obtuso-Lineare (Plant) Rel Props:Source_db:cmaup_ingredients - 59. Outgoing r'ship
FOUND_INto/from Senecio Adenophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 60. Outgoing r'ship
FOUND_INto/from Solidago Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 61. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 62. Outgoing r'ship
FOUND_INto/from Sterculia Foetida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 63. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 64. Outgoing r'ship
FOUND_INto/from Vachellia Pennatula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 65. Outgoing r'ship
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