5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol
PubChem CID: 375155
Connections displayed (default: 10).
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| Compound Synonyms | NSC654289, CHEMBL526665, NSC-654289, NCI60_018853 |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C23H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMFCNLXOVHSDML-UHFFFAOYSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -4.217 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.368 |
| Compound Name | 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 347.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 347.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6534396000000005 |
| Inchi | InChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13,20,24-25H,1,10,12H2,2-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: