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epi-Zanthomuurolanine

AlkaPlorer ID: AK023856

Synonym: '(-)-Zanthomuurolanine', 'Zanthocadinanine A', 'Zanthocadinanine B', 'zanthocadinanine A', 'zanthocadinanine B', 'Zanthomuurolanine', '(+)-epi-Zanthocadinanine B', 'zanthomuurolanine', '(+)-epi-Zanthomuurolanine', 'epi-zanthomuurolanine', 'epi-Zanthocadinanine B', '(-)-Zanthocadinanine B', '(-)-Zanthocadinanine A', 'epi-zanthocadinanine B'

IUPAC Name: (13R)-13-[[(4aR,5S,8S,8aR)-5-methoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine

Structure

SMILES: COC1=CC=C2C3=CC=C4C=C5OCOC5=CC4=C3N(C)[C@H](CC3=C[C@@H]4[C@@H](CC3)[C@@](C)(OC)CC[C@H]4C(C)C)C2=C1OC

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InChI: InChI=1S/C37H45NO5/c1-21(2)24-14-15-37(3,41-7)29-12-8-22(16-28(24)29)17-30-34-25(11-13-31(39-5)36(34)40-6)26-10-9-23-18-32-33(43-20-42-32)19-27(23)35(26)38(30)4/h9-11,13,16,18-19,21,24,28-30H,8,12,14-15,17,20H2,1-7H3/t24-,28-,29+,30+,37-/m0/s1

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InChIKey: RDACIPRKFVDYFL-XXZQSUMOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Zanthoxylum nitidum Zanthoxylum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 583.7690000000002

TPSA？: 49.39

MolLogP？: 8.557400000000005

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens MCF7 Activity None None 10.1021/np700745f
Homo sapiens NCI-H460 Activity None None 10.1021/np700745f
Homo sapiens SF-268 Activity None None 10.1021/np700745f

Metabolism Information