Rohitukine; 3'-O-(3,4,5-Trimethoxybenzoyl)
AlkaPlorer ID: AK312642
Synonym: 3'-(3,4,5-Trimethoxybenzoyl)rohitukine, Chrotacumine C
IUPAC Name: [4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-1-methylpiperidin-3-yl] 3,4,5-trimethoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CN(C)CCC2C2=C(O)C=C(O)C3=C2OC(C)=CC3=O)=CC(OC)=C1OC
InChI: InChI=1S/C26H29NO9/c1-13-8-16(28)23-18(30)11-17(29)22(25(23)35-13)15-6-7-27(2)12-21(15)36-26(31)14-9-19(32-3)24(34-5)20(10-14)33-4/h8-11,15,21,29-30H,6-7,12H2,1-5H3
InChIKey: HVKVOCXJBCFWGR-UHFFFAOYSA-N
Reference
Chrotacumines A−D, Chromone Alkaloids from <i>Dysoxylum acutangulum</i>
PubChem CID: 75068756
CAS: 1187957-53-4
LOTUS: LTS0015012
COCONUT: CNP0104023.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum acutangulum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 499.5160000000003
TPSA？: 127.9
MolLogP？: 3.183120000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|