Aquilarine A
AlkaPlorer ID: AK010732
Synonym: None
IUPAC Name: None
Structure
SMILES: [H][C@@]1(C2=CN=C(CCC3=CC=C(OC)C=C3)C(C(=O)OC)=C2)CC[C@@]2(C)CCCC(C=O)=C2C1
InChI: InChI=1S/C28H33NO4/c1-28-13-4-5-21(18-30)25(28)16-20(12-14-28)22-15-24(27(31)33-3)26(29-17-22)11-8-19-6-9-23(32-2)10-7-19/h6-7,9-10,15,17-18,20H,4-5,8,11-14,16H2,1-3H3/t20-,28-/m1/s1
InChIKey: QNFDBINVOWCUGO-PIIWDFAUSA-N
Reference
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilaria sinensis | Aquilaria | Thymelaeaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stephania longa | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 447.5750000000004
TPSA？: 65.49000000000001
MolLogP？: 5.615200000000006
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|