Thesine
AlkaPlorer ID: AK315927
Synonym: Diisoretronecanyl p,p'-dihydroxy-α-truxillate
IUPAC Name: bis(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Structure
SMILES: O=C(OCC1CCN2CCCC12)C1C(C2=CC=C(O)C=C2)C(C(=O)OCC2CCN3CCCC23)C1C1=CC=C(O)C=C1
InChI: InChI=1S/C34H42N2O6/c37-25-9-5-21(6-10-25)29-31(33(39)41-19-23-13-17-35-15-1-3-27(23)35)30(22-7-11-26(38)12-8-22)32(29)34(40)42-20-24-14-18-36-16-2-4-28(24)36/h5-12,23-24,27-32,37-38H,1-4,13-20H2
InChIKey: XGRYDJSRYGHYOO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thesium minkwitzianum | Thesium | Thesiaceae | Santalales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 574.7180000000004
TPSA？: 99.54
MolLogP？: 4.266200000000004
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|