Meranzin hydrate
PubChem CID: 5070783
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Meranzin hydrate, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one, 5673-37-0, 2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-, HMS2269D15, 8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one, SCHEMBL50013, MLS000877031, CHEMBL433093, MEGxp0_000217, ACon1_000705, DTXSID60408023, CHEBI:181662, KGGUASRIGLRPAX-UHFFFAOYSA-N, AKOS032948394, PD125348, SMR000440691, XM163793, AN-668/21246023, 7-methoxy-8-(2',3'-dihydroxy-isopentyl)-coumarin, BRD-A09581883-001-01-7, 7-methoxy-8-(2',3'-dihydroxy-3'-methylbutyl)coumarin, Coumarin, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy- |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, P83916, O89049 |
| Iupac Name | 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Class | Coumarins and derivatives |
| Target Id | NPT48 |
| Xlogp | 1.5 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C15H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KGGUASRIGLRPAX-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.275 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.164 |
| Synonyms | Meranzin hydric acid |
| Compound Name | Meranzin hydrate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.5265847999999997 |
| Inchi | InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3 |
| Smiles | CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Coumarins and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Pubescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Acalypha Paniculata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Acmella Paniculata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Acypha Paniculata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aeollanthus Pubescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Afraegle Paniculata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Angelica Anomala (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Angelica Cyclocarpa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Angelica Glabra (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Angelica Hirsutiflora (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Angelica Lucida (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Angelica Nubigena (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Angelica Officinalis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Angelica Pachycarpa (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Angelica Sylvestris (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Angelica Taiwaniana (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Angelica Talwaniana (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Angelica Tarokoensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Angelica Tenuissima (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Angelica Ursina (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Ardisia Paniculata (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Betula Pubescens (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Calystegia Pubescens (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Cassine Paniculata (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Centrosema Pubescens (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Cinchona Pubescens (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Consolida Pubescens (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Coussarea Paniculata (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Crotalaria Paniculata (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Dalbergia Lanceolaria (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Dbergia Paniculata (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Diospyros Paniculata (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Ehretia Pubescens (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Epimedium Pubescens (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Erycibe Paniculata (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Euphorbia Pubescens (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Flemingia Paniculata (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Gymnacranthera Paniculata (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Hydrangea Paniculata (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Ilex Pubescens (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Ipomoea Paniculata (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Jacquemontia Paniculata (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Justicia Paniculata (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Kallstroemia Pubescens (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Koelreuteria Paniculata (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Meconopsis Paniculata (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Metzgeria Pubescens (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Microcos Paniculata (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Micromelum Pubescens (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Morinda Pubescens (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:npass_chem_all - 75. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Mussaenda Pubescens (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Nymphaea Pubescens (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Onosma Paniculata (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Ostodes Paniculata (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Otholobium Pubescens (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Oxyspora Paniculata (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Peltogyne Pubescens (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Physalis Pubescens (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Pogostemon Pubescens (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Porana Paniculata (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Sasa Paniculata (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Siegesbeckia Orientalis (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Sigesbeckia Pubescens (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Solanum Pubescens (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Spilanthes Paniculata (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Stevia Paniculata (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Swertia Paniculata (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Swertia Pubescens (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Symplocos Paniculata (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Syringa Pubescens (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Terminalia Paniculata (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Vasconcellea Pubescens (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Vitex Paniculata (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Wendlandia Paniculata (Plant) Rel Props:Reference: