Marvin  04221316232D          

 30 33  0  0  0  0            999 V2000
    0.8378   -3.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   -3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -3.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8319   -3.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8337   -4.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -4.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -3.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -4.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871   -4.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719   -4.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719   -3.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869   -2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880   -1.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882   -5.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646   -4.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693   -2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855   -3.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021   -2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182   -3.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6030   -1.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3194   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346   -4.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265   -2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -4.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5370   -4.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0176   -3.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5264   -2.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
 18 19  1  0  0  0  0
  5  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  7  2  0  0  0  0
 20 22  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  7  9  1  0  0  0  0
 13 14  2  0  0  0  0
  8  4  1  0  0  0  0
 21 23  2  0  0  0  0
 10 15  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
  8  9  2  0  0  0  0
 26 25  2  0  0  0  0
 25 21  1  0  0  0  0
 26 27  1  0  0  0  0
 11 16  1  0  0  0  0
  2  1  1  0  0  0  0
 12 17  1  0  0  0  0
 17  2  1  0  0  0  0
  4  5  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
> <ID>
CHEBI:66304

> <NAME>
rhinacanthin D

> <DEFINITION>
A carboxylic ester obtained by the formal condensation of 2-hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)naphthalene-1,4-dione with 1,3-benzodioxole-5-carboxylic acid. Isolated from Rhinacanthus nasutus, it exhibits antiviral activity.

> <STAR>
3

> <IUPAC_NAME>
3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl 1,3-benzodioxole-5-carboxylate

> <FORMULA>
C23H20O7

> <MASS>
408.40070

> <MONOISOTOPIC_MASS>
408.12090

> <CHARGE>
0

> <SMILES>
CC(C)(COC(=O)c1ccc2OCOc2c1)CC1=C(O)C(=O)c2ccccc2C1=O

> <INCHI>
InChI=1S/C23H20O7/c1-23(2,11-28-22(27)13-7-8-17-18(9-13)30-12-29-17)10-16-19(24)14-5-3-4-6-15(14)20(25)21(16)26/h3-9,26H,10-12H2,1-2H3

> <INCHIKEY>
QWHPVCGUVBLEQF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
179461-46-2

> <REAXYS_REGISTRY_NUMBER>
7726066

> <CHEMIDPLUS>
179461-46-2

> <PUBMED_CITATION>
19303271; 19403288; 19772749; 8792629

$$$$