5Z-7-Oxozeaenol
PubChem CID: 9863776
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| Compound Synonyms | 5Z-7-Oxozeaenol, (5Z)-7-Oxozeaenol, 253863-19-3, LL-Z1640-2, CHEBI:67559, CHEMBL1077979, (3S,5Z,8S,9S,11E)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione, (3s,5z,8s,9s,11e)-8,9,16-Trihydroxy-14-Methoxy-3-Methyl-3,4,9,10-Tetrahydro-1h-2-Benzoxacyclotetradecine-1,7(8h)-Dione, (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 66018-38-0, LL Z1640-2, LL-Z-1640-2, DTXSID90432058, (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo(12.4.0)octadeca-1(14),6,12,15,17-pentaene-2,8-dione, FR-148083, FR 148083, L 783279, GTPL8077, SCHEMBL3841555, CHEBI:95343, DTXCID50382888, DKA86319, BDBM50042034, EX-A10264, NSC831634, AKOS030213203, NSC-831634, 5Z-7-Oxozeaenol, >=98% (HPLC), NCGC00186421-03, NCGC00186421-04, NCGC00186421-07, NCGC00244249-02, (2E,5S,6S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione, FO177760, HY-12686, CS-0012266, G13813, Q27074007, 683-694-3 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | n.a., O43318, Q04206, P49116, O14733, Q02750, P28482, P45985, P07947, Q9Y263, Q07912, Q13131, P54646, P57078, P10398, Q13535, O14965, O14966, O14967, Q96GD4, Q9UQB9, P30530, P25098, P36894, P15056, Q14012, Q8IU85, Q9UQM7, Q13554, Q13557, Q13555, Q16566, O14936, P46108, P06493, P21127, P49336, P24941, Q00535, Q00534, P50613, Q14004, O14757, O96017, Q9NYV4, P41240, P78527, O00418, P00533, P29317, P29323, P27361, Q13164, P16591, P07332, P11362, P07333, P09619, Q06418, P42345, P42685, P06241, P12931, P35557, Q9P2K8, P49840, P49841, P04626, P21860, Q92918, O15111, O14920, Q14164, Q9UHD2, Q13418, P51617, Q9NWZ3, O75460, Q76MJ5, P23458, P45983, P45984, P53779, Q9Y4K4, Q8IVH8, Q8IVT5, Q8WXI2, O95835, Q9NRM7, P06239, Q15831, O94804, P07948, P36507, P46734, Q13163, P52564, Q13233, Q6ZN16, Q9Y2U5, Q99759, Q9Y6R4, Q99683, Q9P0L2, Q7KZI7, P27448, O60307, Q96GX5, P08581, Q16584, Q5TCX8, Q8NB16, Q9Y5S2, O75676, Q13043, Q13188, Q9Y6E0, Q9P289, O00506, Q15208, Q9Y2H1, Q96PY6, P51957, Q9HC98, Q8TDX7, Q86SG6, Q8TD19, Q9H093, O95747, Q16539, O15264, P53778, Q15418, Q9UBS0, Q13177, Q58A45, Q00536, Q07002, Q00537, Q9NZJ5, Q96Q40, Q9UBF8, O00750, Q8NEB9, P42338, P48426, Q8TBX8, Q9Y2I7, P49773, Q05513, P19525, P53350, Q13523, Q96S44, P04049, Q9Y572, Q04912, P51812, Q15349, Q96S38, Q96BR1, Q96Q15, Q96SB4, Q7RTN6, Q9C0K7, P43405, Q7L7X3, Q9H2K8, Q9UL54, Q9UKI8, Q86UE8, Q13470, P33981, O75385, Q8IYT8, Q86Y07, P30291, Q9H4A3, Q9Y3S1, Q9BYP7, Q86UX6, Q9NYL2, P43403, O95819, Q9UKE5, Q8N4C8, O14730, P35916, P17948, P36888, P10721, P37173, Q9NRP7, P16234, Q04771, Q9BZL6, Q9UK32, Q9NSY1, P35968, Q92772 |
| Iupac Name | (4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT721, NPT3441, NPT491, NPT282, NPT3442, NPT1149 |
| Xlogp | 2.6 |
| Molecular Formula | C19H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NEQZWEXWOFPKOT-BYRRXHGESA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.547 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.83 |
| Compound Name | 5Z-7-Oxozeaenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 362.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.8106128307692315 |
| Inchi | InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1 |
| Smiles | C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Tithymaloides (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lilium Lancifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all