7-[(dimethylamino)methyl]-5,12-dimethoxy-2,9-dioxatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
AlkaPlorer ID: AK016271
Synonym: None
IUPAC Name: 7-[(dimethylamino)methyl]-5,12-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Structure
SMILES: COC1=CC=C2OC(=O)C3=C4C(=C(CN(C)C)C=C3OC)OC(=O)C1=C24
InChI: InChI=1S/C19H17NO6/c1-20(2)8-9-7-12(24-4)15-16-13-11(25-18(15)21)6-5-10(23-3)14(13)19(22)26-17(9)16/h5-7H,8H2,1-4H3
InChIKey: RKEBJJCZAOFMLH-UHFFFAOYSA-N
Reference
Diterpenes from Croton lechleri
PubChem CID: 162998515
LOTUS: LTS0096259
COCONUT: CNP0272085
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Croton lechleri | Croton | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.3460000000001
TPSA？: 82.12
MolLogP？: 2.5692000000000004
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|