12-O-Nicotinoyllineolon
AlkaPlorer ID: AK071822
Synonym: ''
IUPAC Name: [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)C1=CC=CN=C1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
InChI: InChI=1S/C27H35NO6/c1-16(29)20-8-11-27(33)25(20,3)22(34-23(31)17-5-4-12-28-15-17)14-21-24(2)9-7-19(30)13-18(24)6-10-26(21,27)32/h4-6,12,15,19-22,30,32-33H,7-11,13-14H2,1-3H3/t19-,20-,21+,22+,24-,25-,26-,27+/m0/s1
InChIKey: OQFVSKGDZKMZEH-DXKISFJISA-N
Reference
Cardenolide and Oxypregnane Glycosides from the Root of Asclepias incarnata L.
PubChem CID: 163019694
LOTUS: LTS0067962
SuperNatural Ⅲ: SN0272369-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias incarnata | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.5780000000003
TPSA？: 116.95000000000002
MolLogP？: 2.9756000000000022
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|