Sargachromanol E
PubChem CID: 11339386
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| Compound Synonyms | Sargachromanol E, Sargachromanol E, (+)-, Sargachromanol E [INCI], UNII-JMY24R181A, 856414-54-5, JMY24R181A, 2,6,10-Tridecatriene-4,5-diol, 13-((2R)-3,4-dihydro-6-hydroxy-2,8-dimethyl-2H-1-benzopyran-2-yl)-2,6,10-trimethyl-, (4S,5S,6E,10E)-, DTXSID30234891, (4S,5S,6E,10E)-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol, (4S,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol, (4S,5R,6E,10E)-13-((2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol, (4S,5R,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol, (4S,5S,6E,10E)-13-((2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol, CHEMBL465404, DTXCID60157382, BDBM50483664, Q27281584 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q9P8Q7 |
| Iupac Name | (4S,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C27H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIWOAJFKIIOXPS-BXYCSXDPSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.358 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.601 |
| Compound Name | Sargachromanol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 428.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 428.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.047126406451614 |
| Inchi | InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25-,27+/m0/s1 |
| Smiles | CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/[C@@H]([C@H](C=C(C)C)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anamirta Cocculus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Caulerpa Peltata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Caulerpa Racemosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Caulerpa Serrulata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Caulerpa Sertularioides (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cocculus Diversifolius (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cocculus Hirsutus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cocculus Indicus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Cocculus Orbiculatus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Cocculus Pendulus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cocculus Sarmentosus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Cocculus Trilobus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Dolichos Trilobus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Erigeron Trilobus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Phaseolus Trilobus (Plant) Rel Props:Reference: