(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-25-hydroxy-3,13,14,25-tetramethyl-20-({[(2R)-2-methylbutanoyl]oxy}methyl)-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-18-y
AlkaPlorer ID: AK222709
Synonym: None
IUPAC Name: [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-20-[[(2R)-2-methylbutanoyl]oxymethyl]-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
Structure
SMILES: CC[C@@H](C)C(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CN=CC=C1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CN(C)C(=O)C=C1)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C46H56N2O19/c1-12-21(2)39(54)60-20-45-37(63-26(7)51)33(61-24(5)49)32-35(62-25(6)50)46(45)44(10,58)36(34(38(45)64-27(8)52)65-41(56)28-13-14-31(53)48(11)18-28)66-40(55)23(4)22(3)29-15-16-47-17-30(29)42(57)59-19-43(32,9)67-46/h13-18,21-23,32-38,58H,12,19-20H2,1-11H3/t21-,22+,23+,32-,33-,34+,35-,36+,37-,38+,43+,44+,45-,46+/m1/s1
InChIKey: MECDTIYWPHEDGE-DGXCGUKHSA-N
Reference
Hippocrateine III, a sesquiterpene alkaloid from Hippocratea excelsa
PubChem CID: 163008802
LOTUS: LTS0053186
SuperNatural Ⅲ: SN0223095-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Semialarium mexicanum | Semialarium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 940.9490000000002
TPSA？: 274.74999999999994
MolLogP？: 2.0523000000000047
Number of H-Donors: 1
Number of H-Acceptors: 21
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|