(2S)-12-methyl-2-[(prop-2-en-1-yloxy)methyl]-12-azatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-1(11),3,5,7,13,15,17-heptaene
AlkaPlorer ID: AK564632
Synonym: None
IUPAC Name: 12-methyl-2-(prop-2-enoxymethyl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
Structure
SMILES: C=CCOCC1C2=CC=CC=C2CCC2=C1C1=CC=CC=C1N2C
InChI: InChI=1S/C22H23NO/c1-3-14-24-15-19-17-9-5-4-8-16(17)12-13-21-22(19)18-10-6-7-11-20(18)23(21)2/h3-11,19H,1,12-15H2,2H3
InChIKey: WWTSKVBXZURUSQ-UHFFFAOYSA-N
Reference
Cancer Chemopreventive Agents (Antitumor-promoters) from <i>Ajuga </i><i>d</i><i>ecumbens</i>
PubChem CID: 45934557
COCONUT: CNP0026171.2
Source
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Properties Information
Molecule Weight: 317.432
TPSA？: 14.16
MolLogP？: 4.611400000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
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