Mycophenolic Acid
PubChem CID: 446541
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| Compound Synonyms | mycophenolic acid, 24280-93-1, Mycophenolate, Melbex, Myfortic, Mycophenolsaeure, 483-60-3, Acido micofenolico, Acide mycophenolique, Lilly-68618, Micofenolico acido, (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid, NSC-129185, Acidum mycophenolicum, 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, CCRIS 5565, NSC 129185, Ly 68618, (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, UNII-HU9DX48N0T, (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid, EINECS 246-119-3, HU9DX48N0T, MFCD00036814, DTXSID4041070, Acido micofenolico [INN-Spanish], CHEBI:168396, Acide mycophenolique [INN-French], Acidum mycophenolicum [INN-Latin], Mycophenolic Acid (MPA), NSC129185, Lilly 68618, 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-, CHEMBL866, 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-, 4-Methyl-5-methoxy-7-hydroxy-6-(5-carboxy-3-methylpent-2-en-1-yl)-phthalide (E)-, 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid, 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisobenzofuran-6-yl)-4-methyl-4-hexanoic acid, 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid (E)-, Myfortic (mycophenolate sodium), (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid, 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-, DTXCID2021070, EC 246-119-3, TNP00198, RS-61443 [AS MOFETIL], 4-Hexenoic acid,6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-, NCGC00016786-01, CAS-24280-93-1, Mycophenolic acid 100 microg/mL in Acetonitrile, 6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, Acido micofenolico (INN-Spanish), MYCOPHENOLIC ACID (MART.), MYCOPHENOLIC ACID [MART.], Acide mycophenolique (INN-French), Acidum mycophenolicum (INN-Latin), Mycophenoic acid, MYCOPHENOLATE [VANDF], 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid, Micofenolico acido [Spanish], (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic Acid (Mycophenolic Acid), (E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid, MOA, SMR000471887, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid, SR-01000597602, MYCOPHENOLATE MOFETIL IMPURITY F (EP IMPURITY), MYCOPHENOLATE MOFETIL IMPURITY F [EP IMPURITY], Mycophenolsaure, mycophenilic acid, mycophenolic-acid, (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic Acid, Mycophenolate Mofetil Imp. F (EP), Mycophenolic Acid, Mycophenolate Mofetil Impurity F, Prestwick_817, EINECS 207-595-8, Mycophenolic acid [USAN:INN:BAN], MPA - Mycophenolate, Tocris-1505, 1jr1, starbld0040186, Mycophenolic acid (TN), Prestwick2_000556, Prestwick3_000556, Spectrum5_001654, UPCMLD-DP028, 4-Hexenoic acid, (E)-, Mycophenolate, RS-61443, SCHEMBL4549, Mycophenolic (Mycophenolate), Mycophenolic acid, >=98%, Mycophenolic acid (Standard), BSPBio_000631, BSPBio_002534, MLS001074701, MLS002222265, MLS002695945, BIDD:GT0456, SPECTRUM1500674, MYCOPHENOLIC ACID [MI], BPBio1_000695, GTPL6832, MEGxm0_000120, Mycophenolic acid (USAN/INN), SCHEMBL2514376, Mycophenolate, Myfortic, Melbex, MYCOPHENOLIC ACID [INN], MYCOPHENOLIC ACID [USAN], UPCMLD-DP028:001, ACon0_000960, ACon1_000496, BDBM19264, CHEBI:92545, HMS500H08, HY-B0421R, EX-A975, L04AA06, MYCOPHENOLIC ACID [VANDF], HMS1569P13, HMS1921A18, HMS2089A17, HMS2092G22, HMS2096P13, HMS2268H22, HMS3403P09, HMS3412F09, HMS3676F09, Pharmakon1600-01500674, MYCOPHENOLIC ACID [WHO-DD], BCP05321, HY-B0421, Tox21_110610, BBL034696, CCG-39914, HB3987, NSC757424, s2487, STL419986, Mycophenolic acid - Bio-X trade mark, Mycophenolic acid, analytical standard, AKOS015888214, Tox21_110610_1, AC-4491, BCP9000970, DB01024, DS-1638, FM15781, MYCOPHENOLIC ACID [ORANGE BOOK], NSC-757424, SDCCGMLS-0066618.P001, (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid, IDI1_000146, NCGC00016786-02, NCGC00016786-03, NCGC00016786-04, NCGC00016786-05, NCGC00016786-06, NCGC00016786-07, NCGC00016786-08, NCGC00016786-09, NCGC00016786-10, NCGC00016786-11, NCGC00016786-12, NCGC00016786-15, NCGC00025190-01, NCGC00025190-02, NCGC00025190-03, NCGC00025190-04, NCGC00025190-05, NCGC00025190-07, NCGC00025190-08, NCGC00025190-09, NCGC00025190-10, (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxohydroisobenzofuran-5-yl)-4-methylhex -4-enoic acid, -Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-, BM164624, Mycophenolic Acid - CAS 24280-93-1, SBI-0051945.P003, A-249, M2216, NS00000399, SW196951-2, C20380, D05096, EN300-122327, M 5255, M02087, AB00052466-13, AB00052466-14, AB00052466_15, AB00052466_16, EN300-1273238, Mycophenolate mofetil impurity, mycophenolic acid-, Q420553, SR-01000597602-1, SR-01000597602-3, SR-01000597602-4, BRD-K63750851-001-06-6, BRD-K63750851-001-13-2, BRD-K63750851-001-18-1, BRD-K63750851-001-19-9, BRD-K63750851-001-20-7, Z2315575694, MYCOPHENOLATE MOFETIL IMPURITY, MYCOPHENOLIC ACID- [USP IMPURITY], MYCOPHENOLATE MOFETIL IMPURITY, MYCOPHENOLIC ACID-(USP IMPURITY), Mycophenolic acid, powder, BioReagent, suitable for cell culture, >=98%, 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, NSC 129185, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthanlanyl)-4-methyl-4-hexanoic acid, (E)-6-(1,3-dihydro-4-hydroxy-6- methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoic acid, (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)-4-methyl-4-hexenoic acid, (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid, (4E)-6-(1,3-Dihydro-4-hydroxy-6-me thoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, 1162256-90-7, 246-119-3, 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)- (9CI), 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)- (8CI), 4-Hexenoic acid,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5- isobenzofuranyl)-4-methyl-, (E)-, 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid, 6-(1,3-Dihydro-7-hydroxy-5-methoxy-4-methyl-1-oxoisoben zofuran-6-yl)-4-methyl-4-hexanoic acid, E-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P20839, P12268, P37231, n.a., P02545, Q99714, B2RXH2, Q16637, P00352, P15917, P15428, P08684, Q16236, Q96KQ7, Q13951, P05177, Q9HAW8, Q9HAW9, P22309, Q9HAW7, O60656, P25094, O75496, P43220, O42275, P81908, Q9NUW8, Q13148, P37840, Q969S8, Q9Y6L6, Q9NPD5, P16662, Q5KP44, P0DTD1, P10275, Q03181, P19838 |
| Iupac Name | (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT4762, NPT2817, NPT483, NPT149, NPT48, NPT93, NPT94, NPT151, NPT109, NPT208, NPT697 |
| Xlogp | 3.2 |
| Molecular Formula | C17H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPNSFSBZBAHARI-RUDMXATFSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -3.624 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.103 |
| Compound Name | Mycophenolic Acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6391576782608706 |
| Inchi | InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ |
| Smiles | CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients