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endiandramide B, rel-

AlkaPlorer ID: AK053216

Synonym: 'endiandramide B', 'rel-(1R,2R,3R,4S,5S,7S,8R,9S)-4-3-(1,3-Benzodioxol-5-yl)propyl-N-isobutyltetracyclo5.4.0.02,5.03,9undec-10-ene-8-carboxamide'

IUPAC Name: (1R,2R,3R,4S,5S,7S,8R,9S)-4-[3-(1,3-benzodioxol-5-yl)propyl]-N-(2-methylpropyl)tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxamide

Structure

SMILES: CC(C)CN=C(O)[C@H]1[C@H]2C=C[C@@H]3[C@@H]1C[C@H]1[C@H](CCCC4=CC=C5OCOC5=C4)[C@@H]2[C@@H]31

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InChI: InChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,23-,24-,25-/m0/s1

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InChIKey: MZNYKIXDEPFZJF-VOMQUASUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Beilschmiedia tsangii Beilschmiedia Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 407.5540000000002

TPSA？: 51.05000000000001

MolLogP？: 5.2808000000000055

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Nitric oxide synthase, inducible Emax 72.07 % 10.1021/np200279r
Mus musculus Nitric oxide synthase, inducible IC50 16400.0 nM 10.1021/np200279r
Mus musculus Nitric oxide synthase, inducible Inhibition nan % 10.1021/np200279r

Metabolism Information