Ajaconine

AlkaPlorer ID: AK320989

Synonym: None

IUPAC Name: 7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol

Structure

SMILES: C=C1C2CCC3(C4CC5C6(C)CCCC5(C(O4)N(CCO)C6)C3C2)C1O

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InChI: InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3

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InChIKey: RLXRCZIALRMBJR-UHFFFAOYSA-N

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Reference

PubChem CID: 494226

CAS: 39013-86-0

COCONUT: CNP0150702.11

Properties Information

Molecule Weight: 359.5100000000001

TPSA: 52.93000000000001

MolLogP: 2.549100000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information