Incarvillateine D
AlkaPlorer ID: AK050186
Synonym: ''
IUPAC Name: bis[(4R,4aS,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1R,3R)-2-(4-hydroxy-3-methoxyphenyl)-4-(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Structure
SMILES: COC1=CC([C@H]2[C@H](C(=O)O[C@@H]3C[C@@H]4[C@H](CN(C)C[C@@H]4C)[C@@H]3C)[C@H](C3=CC=C(O)C=C3)[C@H]2C(=O)O[C@@H]2C[C@@H]3[C@H](CN(C)C[C@@H]3C)[C@@H]2C)=CC=C1O
InChI: InChI=1S/C41H56N2O7/c1-21-17-42(5)19-30-23(3)33(15-28(21)30)49-40(46)38-36(25-8-11-27(44)12-9-25)39(37(38)26-10-13-32(45)35(14-26)48-7)41(47)50-34-16-29-22(2)18-43(6)20-31(29)24(34)4/h8-14,21-24,28-31,33-34,36-39,44-45H,15-20H2,1-7H3/t21-,22-,23-,24-,28-,29-,30+,31+,33+,34+,36-,37-,38+,39+/m0/s1
InChIKey: JMQHOPANKAOTDB-ZWDOTXFLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Incarvillea sinensis | Incarvillea | Bignoniaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 688.9060000000001
TPSA？: 108.77
MolLogP？: 5.750800000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|