Hydrohydrastinine
PubChem CID: 22301
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hydrohydrastinine, 494-55-3, 6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, Hydrohydrastinin, 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, MLS002706489, 7UYL6N5J89, CHEMBL2140445, NSC-112975, UNII-7UYL6N5J89, EINECS 207-792-9, HYDROHYDRASTININE [MI], SCHEMBL1760693, DTXSID80197785, BDBM50006638, Norhydrastinine,2-dihydro-2-methyl-, NSC112975, NSC788829, AKOS016008780, NSC 112975, NSC-788829, NCGC00246722-01, SMR001573894, DB-307175, NS00031902, G70436, 1,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-, Q27268880, 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-, 5,6,7,8-TETRAHYDRO-6-METHYL-1,3,DIOXOLO(4,5-G)ISOQUINOLINE |
|---|---|
| Topological Polar Surface Area | 21.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P63092, P12390, P12392, Q8R493, P36544 |
| Iupac Name | 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNZFFRJWTVYMBF-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.871 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.454 |
| Compound Name | Hydrohydrastinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 191.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 191.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 191.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3570688571428566 |
| Inchi | InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3 |
| Smiles | CN1CCC2=CC3=C(C=C2C1)OCO3 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dovyalis Hebecarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eremophila Oppositifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ixeris Repens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lycopodium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Taxillus Yadoriki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all