| Phytochemical Name : Genipin |
| PCNDIDG0043 |
| Pubchem CID : 442424 |
| Molecular formula: C11H14O5 |
| Canonical SMILES : COC(=O)C1=COC(C2C1CC=C2CO)O |
Synonymes : Genipin|6902-77-8|(+)-Genipin|CHEBI:5298|UNII-A3V2NE52YG|A3V2NE52YG|ST080860|methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate|C09780|(1R,4aS,7aS)-methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate|methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate|AC1L9CSN|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1,4A,5,7A-TETRAHYDRO-1-HYDROXY-7-(HYDROXYMETHYL)-, METHYL ESTER, (1R,4AS,7AS)-|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1,4A,5,7A-TETRAHYDRO-1-HYDROXY-7-(HYDROXYMETHYL)-, METHYL ESTER, (1R-(1.ALPHA.,4A.ALPHA.,7A.ALPHA.))-|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1,4A.ALPHA.,5,7A.ALPHA.-TETRAHYDRO-1-HYDROXY-7-(HYDROXYMETHYL)-, METHYL ESTER|Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, (1R,4aS,7aS)-|Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, [1R-(1.alpha.,4a.alpha.,7a.alpha.)]-|Cyclopenta[c]pyran-4-carboxylic acid, 1,4a.alpha.,5,7a.alpha.-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester|MFCD00888600|SureCN34249|SCHEMBL34249|MLS006010198|CHEMBL459016|DTXSID30894999|HMS3261H13|Cyclopenta(c)pyran-4-carboxylic acid, 1,4a-alpha,5,7a-alpha-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester|EX-A4263|Tox21_500516|AM1140|BDBM50565452|Genipin, >=98% (HPLC), powder|s2412|AKOS015851487|AC-8847|BCP9000722|CCG-221820|CS-1096|CS-O-30595|LP00516|SDCCGSBI-0633724.P001|NCGC00186010-01|NCGC00186010-03|NCGC00186010-10|NCGC00261201-01|AS-18947|HY-17389|Methyl (1S,2R,6S)-2-Hydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]nona-4,8-diene-5-carboxylate|SMR001456266|G0458|AB01566854_01|EN300-7409283|A836320|J-521411|Q1463401|BRD-K28824103-001-04-4|Genipin is known as an aglycone dervied from Geniposide.|Z2044761865|(1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester|(1R,4aS,7aS)-1-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester|1202641-87-9|Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methylester, (1R,4aS,7aS)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.970 |
| Log Po/w (XLOGP3) : -0.750 |
| Log Po/w (WLOGP) : -0.050 |
| Log Po/w (MLOGP) : 0.120 |
| Log Po/w (SILICOS-IT) : 0.110 |
| Consensus Log Po/w : 0.280 |

