NP-MRD: Showing NP-Card for 1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate (NP0247728)

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Record Information

Version

2.0

Created at

2022-09-07 09:41:16 UTC

Updated at

2022-09-07 09:41:16 UTC

NP-MRD ID

NP0247728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate

Description

1-(Acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. 1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate is found in Casearia membranacea. 1-(Acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171512302D          

 35 37  0  0  0  0            999 V2000
   -1.6953    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    5.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    5.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    4.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749    4.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514    4.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480    3.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5423    2.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0399    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264    0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668    0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5311    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5993    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5921   -0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3658    0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5121    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4536    1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8373    1.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5770    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0241    0.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8585    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9863   -0.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5005    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1531    2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7695    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1725    3.6518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9772    3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9563    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3088    3.2461    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  2  0  0  0  0
  8 35  1  0  0  0  0
M  END


  Mrv1533004171512302D          

 35 37  0  0  0  0            999 V2000
   -1.6953    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    5.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    5.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    4.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749    4.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514    4.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480    3.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5423    2.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0399    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264    0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668    0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5311    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5993    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5921   -0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3658    0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5121    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4536    1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8373    1.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5770    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0241    0.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8585    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9863   -0.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5005    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1531    2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7695    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1725    3.6518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9772    3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9563    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3088    3.2461    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  2  0  0  0  0
  8 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0247728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C(=O)OC1CC2C3(C(OC(C)=O)OC(OC)C3=C1)C(O)CC(C)C2(C)CCC(=C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3

> <INCHI_KEY>
RGZKHYXCYJSLDP-UHFFFAOYSA-N

> <FORMULA>
C28H42O7

> <MOLECULAR_WEIGHT>
490.637

> <EXACT_MASS>
490.293053692

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
54.330855870791375

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate

> <ALOGPS_LOGP>
4.11

> <JCHEM_LOGP>
4.759652972999999

> <ALOGPS_LOGS>
-5.07

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.4567897211987

> <JCHEM_PKA_STRONGEST_BASIC>
-3.036400175947687

> <JCHEM_POLAR_SURFACE_AREA>
91.29000000000002

> <JCHEM_REFRACTIVITY>
132.3099

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.16e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -3.165  11.765   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.437  10.897   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.322   9.357   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.785   9.255   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.180   8.076   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -6.443   8.958   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -5.316   6.488   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -6.612   5.490   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.390   3.966   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.599   3.012   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.377   1.488   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.515   0.119   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.675   1.089   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.156   0.435   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.738   1.129   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.858   2.665   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.283   0.435   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.014   1.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.585   0.533   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.572  -1.088   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -10.016   1.103   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -10.289   2.194   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -12.047   2.467   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -9.030   3.581   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -10.410   2.899   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -11.245   1.302   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0     -12.803   0.701   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -13.041  -0.820   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0     -14.001   1.668   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0     -11.486   4.001   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0     -10.770   5.365   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -11.522   6.817   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0     -13.024   7.351   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -9.252   5.105   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.043   6.059   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   35                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   24                                                  
CONECT   11   10   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17                                                            
CONECT   19   11   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   10   25   34                                             
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   24   35                                                  
CONECT   35   34    8                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
1-(Acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6ah,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoic acid	Generator

Chemical Formula

C₂₈H₄₂O₇

Average Mass

490.6370 Da

Monoisotopic Mass

490.29305 Da

IUPAC Name

1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate

Traditional Name

1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-5-yl 2-methylbutanoate

CAS Registry Number

Not Available

SMILES

CCC(C)C(=O)OC1CC2C3(C(OC(C)=O)OC(OC)C3=C1)C(O)CC(C)C2(C)CCC(=C)C=C

InChI Identifier

InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3

InChI Key

RGZKHYXCYJSLDP-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Casearia membranacea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Substituents

Clerodane diterpenoid
Naphthofuran
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Cyclic alcohol
Tetrahydrofuran
Carboxylic acid ester
Secondary alcohol
Oxacycle
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	4.11	ALOGPS
logP	4.76	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	14.46	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	91.29 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	132.31 m³·mol⁻¹	ChemAxon
Polarizability	54.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

72763502

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate (NP0247728)

MOL for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

3D MOL for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

3D SDF for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

3D-SDF for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

PDB for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

3D PDB for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

SMILES for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

INCHI for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

Structure for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)

3D Structure for NP0247728 (1-(acetyloxy)-10-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate)