2,7'-Cyclo-8,8'-lign-7-ene-3',4,4',5,9,9'-hexol; (7'R*,8'S*)-form, 9-Carboxylic acid, 3',5-di-Me ether, 9'-benzoyl, [(4-hydroxyphenyl)ethyl]amide
AlkaPlorer ID: AK293672
Synonym: Acorusin A
IUPAC Name: None
Structure
SMILES: COC1=CC(C2C3=CC(O)=C(OC)C=C3C=C(C(=O)NCCC3=CC=C(O)C=C3)C2COC(=O)C2=CC=CC=C2)=CC=C1O
InChI: InChI=1S/C35H33NO8/c1-42-31-17-23(10-13-29(31)38)33-26-19-30(39)32(43-2)18-24(26)16-27(28(33)20-44-35(41)22-6-4-3-5-7-22)34(40)36-15-14-21-8-11-25(37)12-9-21/h3-13,16-19,28,33,37-39H,14-15,20H2,1-2H3,(H,36,40)
InChIKey: VPUDEZOEODXYSJ-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acorus tatarinowii | Acorus | Acoraceae | Acorales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.6480000000004
TPSA？: 134.54999999999998
MolLogP？: 5.181600000000005
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|