11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-yl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
AlkaPlorer ID: AK319182
Synonym: None
IUPAC Name: [11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Structure
SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(=O)/C=C/C1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C35H49NO8/c1-7-36-18-33(19-39-2)13-12-28(43-6)35-22-15-21-26(42-5)17-34(38,23(32(35)36)16-27(33)35)30(22)31(21)44-29(37)11-9-20-8-10-24(40-3)25(14-20)41-4/h8-11,14,21-23,26-28,30-32,38H,7,12-13,15-19H2,1-6H3/b11-9+
InChIKey: WLRWZOWXGYYWOQ-PKNBQFBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilaria agallochum | Aquilaria | Thymelaeaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 611.7760000000002
TPSA？: 95.92000000000002
MolLogP？: 3.812700000000002
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|