| Phytochemical Name : beta-Peltatin |
| PCNDIDB0086 |
| Pubchem CID : 92122 |
| Molecular formula: C22H22O8 |
| Canonical SMILES : COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O |
Synonymes : beta-Peltatin|518-29-6|beta-Peltatin A|PELTATIN B|Peltatin methyl ether|PELTATIN, BETA|(-)-beta-peltatin|PELTATIN|(-)-|A-Peltatin|.beta.-Peltatin|alpha-Peltalin A|NSC 24819|BRN 0099483|AI3-50532|NSC24819|UNII-3U9W61G72Y|CHEBI:74867|3U9W61G72Y|NSC35471|.beta.-Peltatin A|.alpha.-Peltalin A|NSC-24819|NSC-35471|(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one|5-19-10-00670 (Beilstein Handbook Reference)|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha))-|MLS002702982|beta-peltatin-a|Peltatin, beta-|Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-|.beta.-Peltatin-B|Spectrum_001780|Spectrum3_001096|Spectrum4_001925|Spectrum5_001882|BSPBio_002772|KBioGR_002270|KBioSS_002261|CHEMBL97543|SCHEMBL516627|SPECTRUM1504739|.BETA.-PELTATIN [MI]|(-)-.BETA.-PELTATIN|KBio2_002260|KBio2_004828|KBio2_007396|KBio3_001992|DTXSID10199732|.BETA.-PELTATIN, (-)-|Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-|AKOS040762170|SDCCGMLS-0066768.P001|NCGC00161926-01|NCGC00161926-02|NCI60_001982|XP178053|HY-125135|LS-101359|CS-0089444|BRD-K13265046-001-02-1|Q27144976|(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one|(5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one|(5R,5AR,8AR)-5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)FURO(3,4:6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE|FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-, (5R,5AR,8AR)-|Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.300 |
| Log Po/w (XLOGP3) : 2.930 |
| Log Po/w (WLOGP) : 2.620 |
| Log Po/w (MLOGP) : 1.690 |
| Log Po/w (SILICOS-IT) : 3.310 |
| Consensus Log Po/w : 2.770 |

