UNPD20921
AlkaPlorer ID: AK077012
Synonym: None
IUPAC Name: dimethyl (1R,6R,7S,9S,10E,15R,20R,21R,24E,25R,26S,37S)-10,24-di(ethylidene)-5-methyl-19-oxa-5,12,22,27-tetrazaundecacyclo[20.11.2.19,15.121,25.01,20.02,18.04,16.06,15.07,12.020,27.028,33]heptatriaconta-2,4(16),17,28,30,32-hexaene-26,37-dicarboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@]34C5=CC6=C(C=C5O[C@@]35[C@H]2C[C@H]1[C@@H](C(=O)OC)N5C1=CC=CC=C14)[C@]12CCN3C/C(=C/C)[C@@H](C[C@H]3[C@@H]1N6C)[C@@H]2C(=O)OC
InChI: InChI=1S/C41H46N4O5/c1-6-22-20-43-14-12-39-27-19-32-28(18-30(27)42(3)36(39)31(43)16-24(22)34(39)37(46)48-4)40-13-15-44-21-23(7-2)25-17-33(44)41(40,50-32)45(35(25)38(47)49-5)29-11-9-8-10-26(29)40/h6-11,18-19,24-25,31,33-36H,12-17,20-21H2,1-5H3/b22-6-,23-7-/t24-,25-,31+,33-,34-,35+,36+,39+,40-,41+/m1/s1
InChIKey: DQCQZSHDSKTQMX-SWLLEWQSSA-N
Reference
Alcaloïdes des feuilles et écorces de tronc d'Alstonia odontophora
PubChem CID: 162927098
LOTUS: LTS0236605
SuperNatural Ⅲ: SN0072454-03
NPASS: NPC111592
Source
Properties Information
Molecule Weight: 674.8420000000002
TPSA？: 74.79
MolLogP？: 4.376600000000004
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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