input word = C00032101

Metabolite InformationStructural formula
Name Orthosiphol N
(-)-Orthosiphol N
Formula C36H40O10
Mw 632.2621475
CAS RN 345905-37-5
C_ID C00032101 ,
InChIKey LFPSUBPBKLUQAL-BCMOTRRCNA-N
InChICode InChI=1S/C36H40O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(39)36(27,43)32(34)42)33(3,4)28(45-30(40)21-14-10-8-11-15-21)26(44-20(2)37)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,24-29,39,43H,1,18-19H2,2-6H3/t24-,25+,26-,27+,28+,29-,34-,35-,36-/m0/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@]([C@H]1OC(=O)c1ccccc1)([C@@H]1[C@@]([C@@H](C2)O)(C(=O)[C@@](CC1=O)(C)C=C)O)C)(C)C)OC(=O)c1ccccc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon stamineus
ReferenceAwale,Chem.Pharm.Bull.,52,(2003),268