Haplamine
PubChem CID: 648601
Connections displayed (default: 10).
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| Compound Synonyms | HAPLAMINE, 52617-31-9, 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one, MLS000073264, SMR000001289, 9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one, Haplamine (6-Methoxyflindersine), 9-methoxy-2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one, 9-methoxy-2,2-dimethyl-6H-pyrano(3,2-c)quinolin-5-one, TNP00205, Opera_ID_1486, CBMicro_015460, Cambridge id 5255761, Oprea1_154408, Oprea1_706653, Oprea1_832596, SCHEMBL257952, cid_648601, CHEMBL1488010, BDBM36843, CHEBI:182487, DTXSID701346933, HMS2387D11, HMS3561F11, 9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one, STL443725, 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-9-methoxy-2,2-dimethyl-, AKOS005223971, CCG-202816, NCGC00017285-01, NCGC00017285-02, NCGC00017285-03, NCGC00017285-04, NCGC00017285-04!HAPLAMINE, NCGC00017285-06, NCGC00033691-02, NCGC00033691-03, BIM-0015490.P001, NS00097346, AG-690/34553026, AJ-738/21161007, BRD-K54293982-001-18-5, Q63408972, 9-methoxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5(6H)-one, 9-METHOXY-2,2-DIMETHYL-2H,5H,6H-PYRANO[3,2-C]QUINOLIN-5-ONE |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 464.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, B2RXH2, Q99714, P42858, P16473, P33261, P51450, P00352, Q03164, P15428, P11712, Q16236, P04637, Q96KQ7, Q9UIF8, Q96QE3, P83916, P84022, O75496, P17405, P43220, Q77YF9, Q9NUW8, O75874, n.a., Q9NR56 |
| Iupac Name | 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT48, NPT149, NPT1197, NPT210, NPT213, NPT94, NPT151, NPT212 |
| Xlogp | 2.0 |
| Molecular Formula | C15H15NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IXRKDGGGFFCRIR-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.292 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.029 |
| Compound Name | Haplamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 257.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 257.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.686465484210526 |
| Inchi | InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17) |
| Smiles | CC1(C=CC2=C(O1)C3=C(C=CC(=C3)OC)NC2=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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