Combretastatin A4
PubChem CID: 5351344
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| Compound Synonyms | Combretastatin A4, 117048-59-6, Combretastatin A-4, Combrestatin A4, (Z)-2-METHOXY-5-(3,4,5-TRIMETHOXYSTYRYL)PHENOL, Combretastatin 4, Combretastatin-A4, CA-4, 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, 2'-deoxycombretastatin A1, MFCD03453309, NSC-613729, Crc 87-09, CHEMBL67, 3,4,5-Trimethoxy-3'-hydroxy-4'-methoxystilbene, NSC-817373, 16U6OP69RQ, CA4, 2-Methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol, Phenol, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, 2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol, Phenol, 2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (Z)-, Crc-98-09, UNII-16U6OP69RQ, combretastin A4, Combrestatin A-4, Combretastin A-4, combretastatin-A-4, 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, Combretastastin A-4, NSC 609397, NSC 613729, 2-methoxy-5-(3,4,5-trimethoxystyryl)phenol, Z-Combretastatin A-4, 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol, SCHEMBL18945, combretastatin A-4, (CSA4), CA 4, GTPL8854, COMBRETASTATIN A-4 [MI], CHEBI:181391, DTXSID101025983, GLXC-02861, HMS3650G11, COMBRETASTATIN A4 [WHO-DD], EX-A4207, HY-N2146, BDBM50005480, s7783, AKOS015950727, AC-5280, CCG-265026, CS-6023, DB14680, DS-5860, FC20545, Phenol,4,5-trimethoxyphenyl)ethenyl]-, ST-1986, C2520, Combretastatin A4, >=98% (HPLC), powder, NS00116331, 5-(3,4,5-trimethoxystyryl)-2-methoxyphenol, C20268, 3'-Hydroxy-3,4,4',5-tetramethoxy-cis-stilbene, EN300-1587417, (Z)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenol, SR-01000946784, (Z)-3''-hydroxy-3,4,4'',5-tetramethoxystilbene, Q5150955, SR-01000946784-1, BRD-K61195623-001-01-4, Z2312943638, [3,4,5-trimethoxy-3'-hydroxy-4'-methoxy-(z)-stilbene], 2-Methoxy-5-[(Z)-2-(3,4,5-trimethox y-phenyl)-vinyl]-phenol, (combretastin A-4)2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol, 5-[(S)-2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl]-2-methoxy-phenol, (combretastatin A-4)2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol, (Z)-2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, 3,4,5-trimethoxy-3'-hydroxy-4'-methoxy-(Z)-stilbene, CS-A4, 1-(3,4,5-Trimethoxyphenyl)-2-(3'-hydroxy-4'-methoxyphenyl) ethane 3,4,5-trimethoxy-3'-hydroxy-4'-methoxystilbene |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q862F3, Q6B856, P02550, Q9BUF5, n.a., Q25270, Q9H4B7, P04786, Q08493, P08183, Q13509, A6NNZ2, P00533, P11362, P00519, P12931, O15245, O94956, Q9NPD5, Q8TCC7, Q4U2R8, O15244, P0DTD1, P0DTE5, Q9NZQ7 |
| Iupac Name | 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT5136, NPT668, NPT5199, NPT622, NPT72, NPT669, NPT665, NPT1540 |
| Xlogp | 3.7 |
| Molecular Formula | C18H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVXBOLULGPECHP-WAYWQWQTSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.698 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.263 |
| Compound Name | Combretastatin A4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.135075556521739 |
| Inchi | InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- |
| Smiles | COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all