2-Phenylfuro[2,3-h]chromen-4-one
PubChem CID: 10978265
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| Compound Synonyms | LANCEOLATIN B, 482-00-8, 2-phenylfuro[2,3-h]chromen-4-one, 7,8-(Oxyvinylene)flavone, 2-phenyl-4H-furo[2,3-h]chromen-4-one, CHEMBL224157, SCHEMBL1161113, CHEBI:228673, 2-phenyluro[2,3-h]chromen-4-one, AAA48200, BDBM50548258, Lanceolatin B, >=95% (LC/MS-UV) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | O=cccocc6cccc6cco5))))))))))cccccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031, P47199, n.a., Q64669, P04798, P08684, P05181, P10635, P33261, P33260, P11712, P10632, P20813, P11509, P05177, Q16678 |
| Iupac Name | 2-phenylfuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT1603, NPT208, NPT1604 |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H10O3 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c1ccc1occc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQNOTBRHBRJKKH-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0 |
| Logs | -6.172 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.167 |
| Synonyms | lanceolatin b, lanceolatin- b, lanceolatin-b |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, coc |
| Compound Name | 2-Phenylfuro[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 262.26 |
| 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 |
| Esol | -3.8607368 |
| Inchi | InChI=1S/C17H10O3/c18-14-10-16(11-4-2-1-3-5-11)20-17-12(14)6-7-15-13(17)8-9-19-15/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4 |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Lannea Acida (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Millettia Peguensis (Plant) Rel Props:Reference:ISBN:9788187748090 - 3. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Tephrosia Falciformis (Plant) Rel Props:Reference:ISBN:9788185042114 - 5. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all