Structure Database (LMSD)

Common Name
Cannabinol
Systematic Name
Synonyms
LM ID
LMPK13120002
Formula
C21H26O2
Exact Mass
Calculate m/z
310.19328
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Other aromatic polyketides [PK1312]

String Representations

InChiKey (Click to copy)
VBGLYOIFKLUMQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
SMILES (Click to copy)
C12C=C(C=CC=1C(OC1C=C(C=C(O)C2=1)CCCCC)(C)C)C

Other Databases

Wikipedia
Cannabinol
KEGG ID
C07580
CHEBI ID
3360
PubChem CID
2543
Cayman ID
25495
GuidePharm ID
740

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 314.72
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.73
Molar Refractivity 95.16

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Created at
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Updated at
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