methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9-triene-21-carboxylate
AlkaPlorer ID: AK427294
Synonym: None
IUPAC Name: methyl 21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate
Structure
SMILES: COC(=O)C1(O)CC23CCCN4CCC5(C6=CC=C7OCOC7=C6NC15CC2)C43
InChI: InChI=1S/C22H26N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h3-4,17,23,26H,2,5-12H2,1H3
InChIKey: JVIKUDVTJCANPX-UHFFFAOYSA-N
Reference
Alkaloids from Kopsia dasyrachis
PubChem CID: 139291917
CAS: 88607-48-1
LOTUS: LTS0075464
COCONUT: CNP0203937.3
Source
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Properties Information
Molecule Weight: 398.4590000000002
TPSA？: 80.26
MolLogP？: 1.7734999999999994
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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