Structure Database (LMSD)
Common Name
podocarpic acid
Systematic Name
12-hydroxypodocarpa-8,11,13-trien-16-oic acid
Synonyms
- (1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acid
- (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
- Podocarpic acid
3D model of podocarpic acid
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
String Representations
InChiKey (Click to copy)
VJILEYKNALCDDV-OIISXLGYSA-N
InChi (Click to copy)
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
SMILES (Click to copy)
C1CC[C@](C)(C(O)=O)[C@]2([H])CCC3=C([C@]21C)C=C(O)C=C3
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
270.49
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.49
Molar Refractivity
76.86
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Created at
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Updated at
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