Stemanthrene B
PubChem CID: 11254675
Connections displayed (default: 10).
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| Compound Synonyms | stemanthrene B, CHEMBL480659, 1,7-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,5-diol, 674774-83-5 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QQDAIOAKEGCALE-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.189 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.129 |
| Compound Name | Stemanthrene B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0732845428571425 |
| Inchi | InChI=1S/C17H18O4/c1-9-14(20-2)8-10-4-5-12-11(15(10)16(9)19)6-7-13(18)17(12)21-3/h6-8,18-19H,4-5H2,1-3H3 |
| Smiles | CC1=C(C=C2CCC3=C(C2=C1O)C=CC(=C3OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adina Sessilifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Genista Sessilifolia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Neonauclea Sessilifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Stemona Cochinchinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Stemona Japonica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Stemona Kerrii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Stemona Parviflora (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Reference: