Chanoclavine I; (-)-form, 18-Carboxylic acid
AlkaPlorer ID: AK292166
Synonym: Chanoclavine I acid
IUPAC Name: (E)-2-methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-enoic acid
Structure
SMILES: CNC1CC2=CNC3=CC=CC(=C23)C1/C=C(\C)C(=O)O
InChI: InChI=1S/C16H18N2O2/c1-9(16(19)20)6-12-11-4-3-5-13-15(11)10(8-18-13)7-14(12)17-2/h3-6,8,12,14,17-18H,7H2,1-2H3,(H,19,20)/b9-6+
InChIKey: TZLYAPAOEFQZDW-RMKNXTFCSA-N
Reference
CAS: 25437-30-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea violacea | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 270.332
TPSA？: 65.12
MolLogP？: 2.4265
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|