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Showing NP-Card for 1,2-dihydrodendroarboreol B (NP0353243)

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Record Information
Version2.0
Created at2026-02-19 13:53:07 UTC
Updated at2026-02-19 16:01:10 UTC
NP-MRD IDNP0353243
Natural Product DOIhttps://doi.org/10.57994/7683
Secondary Accession NumbersNone
Natural Product Identification
Common Name1,2-dihydrodendroarboreol B
Description 1,2-dihydrodendroarboreol B was first documented in 2020 (PMID: 33021790).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0353243 (1,2-dihydrodendroarboreol B)


  Mrv2104 03202311052D          

 19 18  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006    5.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7151    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4296    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
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3D MOL for NP0353243 (1,2-dihydrodendroarboreol B)

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3D SDF for NP0353243 (1,2-dihydrodendroarboreol B)

  Mrv2104 03202311052D          

 19 18  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006    5.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7151    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4296    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353243

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(CCCCCC=C)\C=C\C#CC#CC(O)C=C

> <INCHI_IDENTIFIER>
InChI=1/C17H22O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h3-4,12,15-19H,1-2,5-7,11,14H2/b15-12+

> <INCHI_KEY>
OVQWXPMFKIYGRC-NTCAYCPXNA-N

> <FORMULA>
C17H22O2

> <MOLECULAR_WEIGHT>
258.361

> <EXACT_MASS>
258.161979948

$$$$

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3D-SDF for NP0353243 (1,2-dihydrodendroarboreol B)
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PDB for NP0353243 (1,2-dihydrodendroarboreol B)
HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.266   4.771   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.599   4.001   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.933   4.771   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.267   5.541   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      21.600   6.311   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      22.934   7.081   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      24.268   7.851   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      24.268   9.391   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      25.602   7.081   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      26.935   7.851   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

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3D PDB for NP0353243 (1,2-dihydrodendroarboreol B)
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SMILES for NP0353243 (1,2-dihydrodendroarboreol B)
OC(CCCCCC=C)\C=C\C#CC#CC(O)C=C
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INCHI for NP0353243 (1,2-dihydrodendroarboreol B)
InChI=1/C17H22O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h3-4,12,15-19H,1-2,5-7,11,14H2/b15-12+
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SynonymsNot Available
Chemical FormulaC17H22O2
Average Mass258.3610 Da
Monoisotopic Mass258.16198 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
OC(CCCCCC=C)\C=C\C#CC#CC(O)C=C
InChI Identifier
InChI=1/C17H22O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h3-4,12,15-19H,1-2,5-7,11,14H2/b15-12+
InChI KeyOVQWXPMFKIYGRC-NTCAYCPXNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Homo sapiens
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. DOI: 10.1021/acs.jnatprod.0c00642
  2. PMID: 33021790