Structure Database (LMSD)
Common Name
2alpha-hydroxytaxusin
Systematic Name
Synonyms
3D model of 2alpha-hydroxytaxusin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Taxus wallichiana var. yunnanensis
(#2778344)
Pinopsida
(#58019)
Omic analysis of the endangered Taxaceae species Pseudotaxus chienii revealed the differences in taxol biosynthesis pathway between Pseudotaxus and Taxus yunnanensis trees.,
BMC Plant Biol, 2021
BMC Plant Biol, 2021
Pubmed ID:
33622251
String Representations
InChiKey (Click to copy)
SCJZVZRWMAAWIK-IMWBZJKQSA-N
InChi (Click to copy)
InChI=1S/C28H40O9/c1-13-20(34-15(3)29)10-11-28(9)22(13)24(33)19-12-21(35-16(4)30)14(2)23(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-22,24-26,33H,1,10-12H2,2-9H3/t19-,20-,21-,22-,24+,25+,26-,28+/m0/s1
SMILES (Click to copy)
[C@@]12([C@@](C)(CC[C@@H](C1=C)OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C([C@@H](OC(=O)C)C[C@]([H])(C1(C)C)[C@H]2O)C)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
3
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
519.15
Topological Polar Surface Area
125.43
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
logP
4.85
Molar Refractivity
135.34
Admin
Created at
15th Nov 2023
Updated at
15th Nov 2023