(16S,18S,19R)-19-ethenyl-16-methoxy-18-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-14-one
AlkaPlorer ID: AK168637
Synonym: None
IUPAC Name: (16S,18S,19R)-19-ethenyl-16-methoxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-14-one
Structure
SMILES: C=C[C@@H]1C2=C(C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)[C@@H](OC)O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C27H28N2O9/c1-3-14-15-9-17-20-13(8-12-6-4-5-7-16(12)28-20)10-29(17)24(34)19(15)26(35-2)37-25(14)38-27-23(33)22(32)21(31)18(11-30)36-27/h3-9,14,18,21-23,25-27,30-33H,1,10-11H2,2H3/t14-,18-,21-,22+,23-,25+,26+,27+/m1/s1
InChIKey: UGFMQZBWVICJDX-CDKFWCNMSA-N
Reference
Camptothecin-related alkaloids from hairy roots of Ophiorrhiza pumila
PubChem CID: 11168431
LOTUS: LTS0143740
SuperNatural Ⅲ: SN0369592-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ophiorrhiza pumila | Ophiorrhiza | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 524.5260000000003
TPSA？: 152.73000000000002
MolLogP？: 0.5125999999999995
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|