(1s,18s,19s,20s)-19-ethenyl-18-{[(2s,3r,4s,5s,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
AlkaPlorer ID: AK003601
Synonym: '', 'Pumiloside', '(1S,18S,19S,20S)-19-ethenyl-18-{(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yloxy}-17-oxa-3,13-diazapentacyclo11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰henicosa-2(11),4,6,8,15-pentaene-10,14-dione'
IUPAC Name: (1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
Structure
SMILES: C=C[C@@H]1[C@H](O[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CC4=C(NC5=CC=CC=C5C4=O)[C@@H]3C[C@H]21
InChI: InChI=1S/C25H26N2O9/c1-2-10-12-7-16-17-13(18(28)11-5-3-4-6-15(11)26-17)8-27(16)22(32)14(12)9-34-24(10)36-25-21(31)19(29)20(30)23(33)35-25/h2-6,9-10,12,16,19-21,23-25,29-31,33H,1,7-8H2,(H,26,28)/t10-,12-,16-,19-,20-,21+,23-,24-,25-/m0/s1
InChIKey: UFBOMADLIBHVPD-YOCPMGRGSA-N
Reference
New Indole Alkaloids from the Bark of <i>Nauclea </i><i>o</i><i>rientalis</i>
PubChem CID: 161074405
LOTUS: LTS0000072
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea orientalis | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 498.48800000000034
TPSA？: 161.78
MolLogP？: -0.2523000000000011
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|