Karanjin
PubChem CID: 100633
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| Compound Synonyms | Karanjin, 521-88-0, 3-methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one, Kranjin, 3-methoxy-2-phenylfuro[2,3-h]chromen-4-one, UNII-WV7IM0I02M, WV7IM0I02M, 3-Methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one, KARANJIN [MI], EINECS 208-319-9, MFCD00017406, NSC 335755, NSC-335755, DTXSID20200106, NSC335755, 3-Methoxy-2-phenyl-4H-furo(2,3-h)(1)benzopyran-4-one, 3-methoxy-2-phenyl-4H-furo(2,3-h)-1-benzopyran-4-one, 4H-Furo(2,3-h)-1-benzopyran-4-one, 3-methoxy-2-phenyl-, 4H-Furo[2,3-h]-1-benzopyran-4-one, 3-methoxy-2-phenyl-, 3-methoxy-2-phenylfuro(2,3-h)chromen-4-one, Karanjin (Standard), Karanjin 100 microg/mL in Acetonitrile, FLAVONE (BOHLMAN), 3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one, 7-Methoxy-8-phenylfurano[2,3-h]chromen-6-one, MLS001360608, BIDD:ER0513, SCHEMBL247164, CHEMBL208484, MEGxp0_001687, HY-N2534R, DTXCID80122597, CHEBI:166631, HMS3043B17, HY-N2534, TNP00046, 4H-Furo[2, 3-methoxy-2-phenyl-, BDBM50548261, LMPK12111542, AKOS016010124, FM68027, KS-1474, NCGC00017182-01, NCGC00017182-02, NCGC00017182-03, NCGC00142418-01, AC-34768, SMR001223861, SY231891, DB-052088, 3-methoxy-2-phenyluro[2,3-h]chromen-4-one, CS-0022805, NS00043273, AK-693/21087011, A1-03165, Q6368495, 4H-Furo(2,3-h)-1-benzopyran-4-one, 3-methoxy-2-phenyl-(8CI), 4H-Furo(2,3-h)-1-benzopyran-4-one, 3-methoxy-2-phenyl-(8CI)(9CI), 208-319-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COccoccc6=O))cccc6cco5))))))))))cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031, Q99714, B2RXH2, P16473, P33261, P00352, P10636, P28482, P00811, P15428, P10635, P08684, P11712, Q16236, Q96QE3, P83916, Q9UBT6, P43220, Q13526, P01215, Q9NUW8, Q9Y6L6, Q9NPD5, Q8WZA2, P63092, Q64669, n.a., Q16678, P04798 |
| Iupac Name | 3-methoxy-2-phenylfuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT149, NPT48, NPT210, NPT213, NPT94, NPT51, NPT282, NPT151, NPT110, NPT109, NPT212, NPT1604, NPT1603 |
| Xlogp | 3.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c1ccc1occc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKPQNZRGGNOPPU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0555555555555555 |
| Logs | -5.007 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.293 |
| Synonyms | 3-Methoxy-2-phenyl-4H-furo(2,3-H)-1-benzopyran-4-one, karanjim, karanjin |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Karanjin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.3 |
| 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 | -4.162688909090909 |
| Inchi | InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Furanoflavones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Derris Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Reference:ISBN:9788185042114