isodutadrupine
AlkaPlorer ID: AK004529
Synonym: None
IUPAC Name: 4,4,17-trimethyl-3,15-dioxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),5,8,12(16),13-hexaen-11-one
Structure
SMILES: CN1C2=C(C=CO2)C(=O)C2=CC=C3C=CC(C)(C)OC3=C21
InChI: InChI=1S/C17H15NO3/c1-17(2)8-6-10-4-5-11-13(15(10)21-17)18(3)16-12(14(11)19)7-9-20-16/h4-9H,1-3H3
InChIKey: YITQHELNKUBSQU-UHFFFAOYSA-N
Reference
Cycloartane Triterpenoid and Alkaloids from Ameidea SPP
PubChem CID: 162846324
LOTUS: LTS0202791
COCONUT: CNP0107554
Source
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Properties Information
Molecule Weight: 281.31100000000004
TPSA？: 44.370000000000005
MolLogP？: 3.4689000000000023
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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