Delta 7-avenasterol
PubChem CID: 12795733
Connections displayed (default: 10).
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| Compound Synonyms | Delta 7-avenasterol, FS-7604, (24z)-24-ethylidencholest-7-en-3beta-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 686.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 8.6 |
| Is Pains | False |
| Molecular Formula | C29H48O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCWVPSBQQXUCTB-CVRIKDQZSA-N |
| Fcsp3 | 0.8620689655172413 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Delta 7-avenasterol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 412.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.480452400000001 |
| Inchi | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22?,23+,25-,26+,27+,28+,29-/m1/s1 |
| Smiles | C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C |
| Defined Bond Stereocenter Count | 1.0 |
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FOUND_INto/from Ajuga Australis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Artemisia Lactiflora (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Baptisia Australis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Bupleurum Rockii (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Celtis Australis (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Celtis Cinnamomea (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Celtis Orientalis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Celtis Philippensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Celtis Tetrandra (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Codonocarpus Australis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Coprosma Australis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Cordyline Australis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
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FOUND_INto/from Hoya Australis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Morus Australis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Paeonia Delavayi (Plant) Rel Props:Reference: - 22. Outgoing r'ship
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FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Source_db:npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Paeonia Obovata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Paeonia Officinalis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Paeonia Suffruticosa (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Paeonia Veitchii (Plant) Rel Props:Reference: - 29. Outgoing r'ship
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FOUND_INto/from Pteris Australis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Raoulia Australis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Typha Australis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Utricularia Australis (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Vittadinia Australis (Plant) Rel Props:Reference: