Euchrestine B
PubChem CID: 15060943
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| Compound Synonyms | Euchrestine B, 8-((2E)-3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol, 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-3-methyl-9H-carbazol-2-ol, CHEMBL2323766, SCHEMBL13142237, 138822-94-3 |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-3-methyl-9H-carbazol-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C24H29NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OFHARTBNOLXMFZ-CXUHLZMHSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.628 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.029 |
| Compound Name | Euchrestine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 363.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.22 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 363.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.558502496296297 |
| Inchi | InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-23(27-5)12-11-18-20-13-17(4)22(26)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+ |
| Smiles | CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3C/C=C(\C)/CCC=C(C)C)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all