Claulansine H
PubChem CID: 57409552
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| Compound Synonyms | Claulansine H, CHEMBL2036039 |
|---|---|
| Topological Polar Surface Area | 82.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C19H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQUWQKZFHAMFOL-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Claulansine H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 325.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.885790133333333 |
| Inchi | InChI=1S/C19H19NO4/c1-10(2)4-5-12-18-14(6-11(9-21)19(12)23)13-7-17(24-3)16(22)8-15(13)20-18/h4,6-9,20,22-23H,5H2,1-3H3 |
| Smiles | CC(=CCC1=C(C(=CC2=C1NC3=CC(=C(C=C32)OC)O)C=O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients