16-hydroxy-19-methyl-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15,18,20-heptaen-14-one
AlkaPlorer ID: AK096692
Synonym: None
IUPAC Name: (1S)-14-hydroxy-19-methyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18,20-heptaen-16-one
Structure
SMILES: CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC(O)=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)[C@@H]3C=C12
InChI: InChI=1S/C25H26N2O9/c1-10-13-8-15-18-12(11-4-2-3-5-14(11)26-18)6-7-27(15)22(32)17(13)23(33)35-24(10)36-25-21(31)20(30)19(29)16(9-28)34-25/h2-5,8,15-16,19-21,25-26,28-31,33H,6-7,9H2,1H3/t15-,16+,19+,20-,21+,25-/m0/s1
InChIKey: RFCSEFDMNDMFCO-OUCBCNBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea officinalis | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 498.4880000000003
TPSA？: 164.94
MolLogP？: 0.3815000000000004
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|