14,18-Cyclo-21,23-epoxyapotirucallane-3,7,21,24,25-pentol; (3β,7α,21ξ,23R,24S)-form, 3-O-(2-Methylaminobenzoyl)
AlkaPlorer ID: AK293560
Synonym: None
IUPAC Name: [15-[5-(1,2-dihydroxy-2-methylpropyl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-(methylamino)benzoate
Structure
SMILES: CNC1=CC=CC=C1C(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C2CC(C(O)C(C)(C)O)OC2O)C1(C)C
InChI: InChI=1S/C38H57NO7/c1-33(2)27-19-28(40)36(6)26(35(27,5)15-14-29(33)46-31(42)21-10-8-9-11-24(21)39-7)13-16-37-20-38(36,37)17-12-23(37)22-18-25(45-32(22)43)30(41)34(3,4)44/h8-11,22-23,25-30,32,39-41,43-44H,12-20H2,1-7H3
InChIKey: FJSCIFMDQSXLCX-UHFFFAOYSA-N
Reference
Triterpenoid Constituents of <i>Raulinoa echinata</i>
PubChem CID: 73093554
LOTUS: LTS0181235
COCONUT: CNP0240698.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Raulinoa echinata | Raulinoa | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 639.8740000000004
TPSA？: 128.48000000000002
MolLogP？: 5.518900000000008
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|