NP-MRD: Showing NP-Card for 11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate (NP0226310)

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Record Information

Version

2.0

Created at

2022-09-06 05:18:08 UTC

Updated at

2022-09-06 05:18:08 UTC

NP-MRD ID

NP0226310

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate

Description

11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]Pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]Pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241500402D          

 35 38  0  0  0  0            999 V2000
    7.8103    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004    1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    2.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231    2.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9768    2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442    2.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3979    2.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0653    2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    1.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2254    0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5580    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553   -0.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    0.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    1.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  4  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  2  0  0  0  0
 25 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END


  Mrv1533004241500402D          

 35 38  0  0  0  0            999 V2000
    7.8103    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004    1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    2.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231    2.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9768    2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442    2.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3979    2.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0653    2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    1.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2254    0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5580    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553   -0.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    0.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    1.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  4  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  2  0  0  0  0
 25 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0226310

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC2(OC(=O)C=CC3=CC=CC=C3)C(C1O)C(O)C(C)=CCC1C(C=C(CO)C2=O)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H36O6/c1-17-10-12-21-22(28(21,3)4)14-20(16-30)27(34)29(15-18(2)26(33)24(29)25(17)32)35-23(31)13-11-19-8-6-5-7-9-19/h5-11,13-14,18,21-22,24-26,30,32-33H,12,15-16H2,1-4H3

> <INCHI_KEY>
CGOUETXUJGEGNX-UHFFFAOYSA-N

> <FORMULA>
C29H36O6

> <MOLECULAR_WEIGHT>
480.601

> <EXACT_MASS>
480.251188879

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
52.91992052689676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate

> <ALOGPS_LOGP>
3.32

> <JCHEM_LOGP>
4.027328980666666

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.595357160783735

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.96021168019129

> <JCHEM_PKA_STRONGEST_BASIC>
-2.817587739466088

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
135.7574

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      14.579   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.039   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.134   3.556   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669   3.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.830   4.612   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.237   5.238   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.398   6.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      13.483   4.333   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.890   4.959   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.136   4.054   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.543   4.680   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.789   3.775   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.628   2.244   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.221   1.617   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.975   2.522   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.134   1.064   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.610  -0.401   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.248   0.635   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.030   1.578   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.772  -0.830   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.232  -0.830   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.756   0.635   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668   5.390   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.336   5.390   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.740   3.193   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.740   1.427   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.677  -2.076   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   16   30                                             
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    4   17   19                                                  
CONECT   17   16    2   18                                                  
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   35                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   32                                                  
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27    4   31                                                  
CONECT   31   30                                                            
CONECT   32   25   24   33   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   21                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Value	Source
11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0,]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoic acid	Generator
11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoic acid	Generator

Chemical Formula

C₂₉H₃₆O₆

Average Mass

480.6010 Da

Monoisotopic Mass

480.25119 Da

IUPAC Name

11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate

Traditional Name

11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate

CAS Registry Number

Not Available

SMILES

CC1CC2(OC(=O)C=CC3=CC=CC=C3)C(C1O)C(O)C(C)=CCC1C(C=C(CO)C2=O)C1(C)C

InChI Identifier

InChI=1S/C29H36O6/c1-17-10-12-21-22(28(21,3)4)14-20(16-30)27(34)29(15-18(2)26(33)24(29)25(17)32)35-23(31)13-11-19-8-6-5-7-9-19/h5-11,13-14,18,21-22,24-26,30,32-33H,12,15-16H2,1-4H3

InChI Key

CGOUETXUJGEGNX-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Lathyrane diterpenoid
Cinnamic acid or derivatives
Cinnamic acid ester
Styrene
Alpha-acyloxy ketone
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Ketone
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organic oxide
Carbonyl group
Organooxygen compound
Primary alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.32	ALOGPS
logP	4.03	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	13.96	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	135.76 m³·mol⁻¹	ChemAxon
Polarizability	52.92 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate (NP0226310)

MOL for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

3D MOL for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

3D SDF for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

3D-SDF for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

PDB for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

3D PDB for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

SMILES for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

INCHI for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

Structure for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)

3D Structure for NP0226310 (11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl 3-phenylprop-2-enoate)