NP-MRD: Showing NP-Card for radicicol (NP0038159)

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Record Information

Version

2.0

Created at

2021-06-20 20:55:24 UTC

Updated at

2021-06-30 00:10:47 UTC

NP-MRD ID

NP0038159

Secondary Accession Numbers

None

Natural Product Identification

Common Name

radicicol

Provided By

JEOL Database JEOL Logo

Description

Radicicol is also known as monorden. Radicicol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. radicicol is found in Floropilus chiversii, Fusarium neocosmosporiellum, Fusarium tenuicristatum, Humicola fuscoatra, Monocillium nordinii and Pochonia chlamydosporia var. chlamydosporia. radicicol was first documented in 1999 (PMID: 16232632). Based on a literature review a small amount of articles have been published on Radicicol (PMID: 16920739) (PMID: 18667483) (PMID: 20093793) (PMID: 20961859).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202122553D          

 42 44  0  0  0  0            999 V2000
   -2.5071    1.7182   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.4261   -1.3017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6615    0.5899    0.1770 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6443    1.6594    0.4585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1856    1.3261    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    1.4490    0.3037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7493    2.5868    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    3.3416   -1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    3.2338   -2.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    2.1102   -3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    2.1442   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    3.2263   -4.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.8529   -5.0359 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8323   -0.4263   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.8175   -5.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.1515   -6.1499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6914   -2.0045   -4.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -2.4162   -4.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.8181   -3.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -2.4391   -3.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -3.2107   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -1.2583   -3.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -0.8825   -3.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.1950   -3.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.0723   -1.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.1426   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    1.5339   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.4659   -2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.3183   -1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.3733    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.8230    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    2.6628    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5224   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    2.8585    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    4.1800   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    4.1729   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.1758   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.9595   -6.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.7939   -4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459   -1.7627   -5.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -3.7264   -3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -4.0239   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0  0  0  0
 13 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  9  2  0  0  0  0
 15 14  2  0  0  0  0
 22 23  1  0  0  0  0
 14 13  1  0  0  0  0
 25 23  1  0  0  0  0
 19 17  2  0  0  0  0
  4  6  1  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
 22 20  2  0  0  0  0
  2  1  1  0  0  0  0
 20 19  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 25  2  1  0  0  0  0
 11 12  2  0  0  0  0
  4  3  1  0  0  0  0
 15 16  1  0  0  0  0
  3  2  1  0  0  0  0
 17 18  1  0  0  0  0
 22 14  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 19 41  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  2 29  1  1  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 10 37  1  0  0  0  0
  4 32  1  1  0  0  0
  9 36  1  0  0  0  0
  8 35  1  0  0  0  0
  7 34  1  0  0  0  0
  6 33  1  6  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
 18 40  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
   -2.5071    1.7182   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.4261   -1.3017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6615    0.5899    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    1.6594    0.4585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1856    1.3261    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    1.4490    0.3037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7493    2.5868    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    3.3416   -1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    3.2338   -2.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    2.1102   -3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    2.1442   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    3.2263   -4.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.8529   -5.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323   -0.4263   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.8175   -5.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.1515   -6.1499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6914   -2.0045   -4.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -2.4162   -4.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.8181   -3.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -2.4391   -3.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -3.2107   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -1.2583   -3.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -0.8825   -3.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.1950   -3.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.0723   -1.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.1426   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    1.5339   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.4659   -2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.3183   -1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.3733    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.8230    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    2.6628    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5224   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    2.8585    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    4.1800   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    4.1729   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.1758   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.9595   -6.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.7939   -4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459   -1.7627   -5.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -3.7264   -3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -4.0239   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0
 13 11  1  0
 11 10  1  0
 10  9  2  0
 15 14  2  0
 22 23  1  0
 14 13  1  0
 25 23  1  0
 19 17  2  0
  4  6  1  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
 22 20  2  0
  2  1  1  0
 20 19  1  0
  4  5  1  0
  6  5  1  0
 25  2  1  0
 11 12  2  0
  4  3  1  0
 15 16  1  0
  3  2  1  0
 17 18  1  0
 22 14  1  0
 20 21  1  0
 23 24  2  0
 19 41  1  0
  3 30  1  0
  3 31  1  0
  2 29  1  1
 13 38  1  0
 13 39  1  0
 10 37  1  0
  4 32  1  1
  9 36  1  0
  8 35  1  0
  7 34  1  0
  6 33  1  6
  1 26  1  0
  1 27  1  0
  1 28  1  0
 18 40  1  0
 21 42  1  0
M  END


  Mrv1652306202122553D          

 42 44  0  0  0  0            999 V2000
   -2.5071    1.7182   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.4261   -1.3017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6615    0.5899    0.1770 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6443    1.6594    0.4585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1856    1.3261    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    1.4490    0.3037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7493    2.5868    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    3.3416   -1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    3.2338   -2.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    2.1102   -3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    2.1442   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    3.2263   -4.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.8529   -5.0359 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8323   -0.4263   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.8175   -5.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.1515   -6.1499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6914   -2.0045   -4.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -2.4162   -4.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.8181   -3.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -2.4391   -3.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -3.2107   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -1.2583   -3.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -0.8825   -3.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.1950   -3.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.0723   -1.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.1426   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    1.5339   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.4659   -2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.3183   -1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.3733    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.8230    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    2.6628    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5224   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    2.8585    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    4.1800   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    4.1729   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.1758   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.9595   -6.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.7939   -4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459   -1.7627   -5.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -3.7264   -3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -4.0239   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0  0  0  0
 13 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  9  2  0  0  0  0
 15 14  2  0  0  0  0
 22 23  1  0  0  0  0
 14 13  1  0  0  0  0
 25 23  1  0  0  0  0
 19 17  2  0  0  0  0
  4  6  1  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
 22 20  2  0  0  0  0
  2  1  1  0  0  0  0
 20 19  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 25  2  1  0  0  0  0
 11 12  2  0  0  0  0
  4  3  1  0  0  0  0
 15 16  1  0  0  0  0
  3  2  1  0  0  0  0
 17 18  1  0  0  0  0
 22 14  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 19 41  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  2 29  1  1  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 10 37  1  0  0  0  0
  4 32  1  1  0  0  0
  9 36  1  0  0  0  0
  8 35  1  0  0  0  0
  7 34  1  0  0  0  0
  6 33  1  6  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
 18 40  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0038159

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C(O[H])=C2C(=C1Cl)C([H])([H])C(=O)\C([H])=C(/[H])\C(\[H])=C([H])/[C@@]1([H])O[C@]1([H])C([H])([H])[C@]([H])(OC2=O)C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1

> <INCHI_KEY>
WYZWZEOGROVVHK-GTMNPGAYSA-N

> <FORMULA>
C18H17ClO6

> <MOLECULAR_WEIGHT>
364.777

> <EXACT_MASS>
364.071365983

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.62389236606734

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione

> <ALOGPS_LOGP>
3.22

> <JCHEM_LOGP>
3.6765286639999997

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.843043106370923

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.02260474290897

> <JCHEM_PKA_STRONGEST_BASIC>
-4.124046059412492

> <JCHEM_POLAR_SURFACE_AREA>
96.36

> <JCHEM_REFRACTIVITY>
93.56089999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
   -2.5071    1.7182   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.4261   -1.3017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6615    0.5899    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    1.6594    0.4585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1856    1.3261    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    1.4490    0.3037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7493    2.5868    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    3.3416   -1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    3.2338   -2.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    2.1102   -3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    2.1442   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    3.2263   -4.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.8529   -5.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323   -0.4263   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.8175   -5.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.1515   -6.1499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6914   -2.0045   -4.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -2.4162   -4.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.8181   -3.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -2.4391   -3.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -3.2107   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -1.2583   -3.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -0.8825   -3.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.1950   -3.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.0723   -1.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.1426   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    1.5339   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.4659   -2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.3183   -1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.3733    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.8230    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    2.6628    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5224   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    2.8585    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    4.1800   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    4.1729   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.1758   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.9595   -6.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.7939   -4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459   -1.7627   -5.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -3.7264   -3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -4.0239   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0
 13 11  1  0
 11 10  1  0
 10  9  2  0
 15 14  2  0
 22 23  1  0
 14 13  1  0
 25 23  1  0
 19 17  2  0
  4  6  1  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
 22 20  2  0
  2  1  1  0
 20 19  1  0
  4  5  1  0
  6  5  1  0
 25  2  1  0
 11 12  2  0
  4  3  1  0
 15 16  1  0
  3  2  1  0
 17 18  1  0
 22 14  1  0
 20 21  1  0
 23 24  2  0
 19 41  1  0
  3 30  1  0
  3 31  1  0
  2 29  1  1
 13 38  1  0
 13 39  1  0
 10 37  1  0
  4 32  1  1
  9 36  1  0
  8 35  1  0
  7 34  1  0
  6 33  1  6
  1 26  1  0
  1 27  1  0
  1 28  1  0
 18 40  1  0
 21 42  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.507   1.718  -1.953  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.027   0.426  -1.302  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.662   0.590   0.177  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.644   1.659   0.459  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.186   1.326   1.578  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.847   1.449   0.304  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.749   2.587   0.088  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.960   3.342  -1.001  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.327   3.234  -2.293  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.258   2.110  -3.020  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.616   2.144  -4.367  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.387   3.226  -4.913  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.174   0.853  -5.036  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.832  -0.426  -4.563  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.101  -0.818  -5.026  0.00  0.00           C+0
HETATM   16 Cl   UNK     0       2.993   0.152  -6.150  0.00  0.00          Cl+0
HETATM   17  C   UNK     0       2.691  -2.005  -4.565  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.925  -2.416  -4.995  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.050  -2.818  -3.637  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.803  -2.439  -3.155  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.170  -3.211  -2.223  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.200  -1.258  -3.610  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.109  -0.883  -3.052  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.181  -1.195  -3.534  0.00  0.00           O+0
HETATM   25  O   UNK     0      -0.867  -0.072  -1.994  0.00  0.00           O+0
HETATM   26  H   UNK     0      -3.356   2.143  -1.409  0.00  0.00           H+0
HETATM   27  H   UNK     0      -2.818   1.534  -2.986  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.710   2.466  -2.001  0.00  0.00           H+0
HETATM   29  H   UNK     0      -2.833  -0.318  -1.350  0.00  0.00           H+0
HETATM   30  H   UNK     0      -1.288  -0.373   0.549  0.00  0.00           H+0
HETATM   31  H   UNK     0      -2.567   0.823   0.750  0.00  0.00           H+0
HETATM   32  H   UNK     0      -1.047   2.663   0.413  0.00  0.00           H+0
HETATM   33  H   UNK     0       1.185   0.522  -0.148  0.00  0.00           H+0
HETATM   34  H   UNK     0       2.323   2.858   0.975  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.651   4.180  -0.913  0.00  0.00           H+0
HETATM   36  H   UNK     0       0.954   4.173  -2.702  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.650   1.176  -2.645  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.343   0.960  -6.115  0.00  0.00           H+0
HETATM   39  H   UNK     0      -0.915   0.794  -4.931  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.246  -1.763  -5.645  0.00  0.00           H+0
HETATM   41  H   UNK     0       2.540  -3.726  -3.300  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.681  -4.024  -2.067  0.00  0.00           H+0
CONECT    1    2   26   27   28                                             
CONECT    2    1   25    3   29                                             
CONECT    3    4    2   30   31                                             
CONECT    4    6    5    3   32                                             
CONECT    5    4    6                                                       
CONECT    6    4    7    5   33                                             
CONECT    7    8    6   34                                                  
CONECT    8    9    7   35                                                  
CONECT    9   10    8   36                                                  
CONECT   10   11    9   37                                                  
CONECT   11   13   10   12                                                  
CONECT   12   11                                                            
CONECT   13   11   14   38   39                                             
CONECT   14   15   13   22                                                  
CONECT   15   17   14   16                                                  
CONECT   16   15                                                            
CONECT   17   15   19   18                                                  
CONECT   18   17   40                                                       
CONECT   19   17   20   41                                                  
CONECT   20   22   19   21                                                  
CONECT   21   20   42                                                       
CONECT   22   23   20   14                                                  
CONECT   23   22   25   24                                                  
CONECT   24   23                                                            
CONECT   25   23    2                                                       
CONECT   26    1                                                            
CONECT   27    1                                                            
CONECT   28    1                                                            
CONECT   29    2                                                            
CONECT   30    3                                                            
CONECT   31    3                                                            
CONECT   32    4                                                            
CONECT   33    6                                                            
CONECT   34    7                                                            
CONECT   35    8                                                            
CONECT   36    9                                                            
CONECT   37   10                                                            
CONECT   38   13                                                            
CONECT   39   13                                                            
CONECT   40   18                                                            
CONECT   41   19                                                            
CONECT   42   21                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

RDKit          3D

42 44  0  0  0  0  0  0  0  0999 V2000
   -2.5071    1.7182   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.4261   -1.3017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6615    0.5899    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    1.6594    0.4585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1856    1.3261    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    1.4490    0.3037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7493    2.5868    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    3.3416   -1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    3.2338   -2.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    2.1102   -3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    2.1442   -4.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    3.2263   -4.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.8529   -5.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323   -0.4263   -4.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.8175   -5.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    0.1515   -6.1499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6914   -2.0045   -4.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -2.4162   -4.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.8181   -3.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -2.4391   -3.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -3.2107   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -1.2583   -3.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089   -0.8825   -3.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.1950   -3.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.0723   -1.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.1426   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    1.5339   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101    2.4659   -2.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.3183   -1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.3733    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.8230    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    2.6628    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5224   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    2.8585    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    4.1800   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    4.1729   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    1.1758   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.9595   -6.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.7939   -4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459   -1.7627   -5.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -3.7264   -3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -4.0239   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0
 13 11  1  0
 11 10  1  0
 10  9  2  0
 15 14  2  0
 22 23  1  0
 14 13  1  0
 25 23  1  0
 19 17  2  0
  4  6  1  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
 22 20  2  0
  2  1  1  0
 20 19  1  0
  4  5  1  0
  6  5  1  0
 25  2  1  0
 11 12  2  0
  4  3  1  0
 15 16  1  0
  3  2  1  0
 17 18  1  0
 22 14  1  0
 20 21  1  0
 23 24  2  0
 19 41  1  0
  3 30  1  0
  3 31  1  0
  2 29  1  1
 13 38  1  0
 13 39  1  0
 10 37  1  0
  4 32  1  1
  9 36  1  0
  8 35  1  0
  7 34  1  0
  6 33  1  6
  1 26  1  0
  1 27  1  0
  1 28  1  0
 18 40  1  0
 21 42  1  0
M  END

View in JSmol

Synonyms

Value	Source
Monorden	ChEBI
KF9-a	MeSH
5-chloro-6-(7,8-Epoxy-10-hydroxy-2-oxo-3,5-undecadienyl)-beta-resorcylic acid mu-lactone	MeSH
Monordene	MeSH

Chemical Formula

C₁₈H₁₇ClO₆

Average Mass

364.7770 Da

Monoisotopic Mass

364.07137 Da

IUPAC Name

(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione

Traditional Name

(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C(O[H])=C2C(=C1Cl)C([H])([H])C(=O)\C([H])=C(/[H])\C(\[H])=C([H])/[C@@]1([H])O[C@]1([H])C([H])([H])[C@]([H])(OC2=O)C([H])([H])[H]

InChI Identifier

InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1

InChI Key

WYZWZEOGROVVHK-GTMNPGAYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Floropilus chiversii	LOTUS Database	35616633
Fusarium neocosmosporiellum	LOTUS Database	35616633
Fusarium tenuicristatum	LOTUS Database	35616633
Humicola fuscoatra	LOTUS Database	35616633
Monocillium nordinii	LOTUS Database	35616633
Pochonia chlamydosporia	JEOL database	Shinonaga, H., et al, Tetrahedron 65, 3446 (2009)

Species Where Detected

Species Name	Source	Reference
Chaetomium chiversii	KNApSAcK Database	22123792

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents

Substituents

Dihydroxybenzoic acid
1-hydroxy-2-unsubstituted benzenoid
Aryl chloride
Aryl halide
Vinylogous acid
Carboxylic acid ester
Ketone
Cyclic ketone
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Organohalogen compound
Organochloride
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

cyclic ketone (CHEBI:556075 )
epoxide (CHEBI:556075 )
phenols (CHEBI:556075 )
macrolide antibiotic (CHEBI:556075 )
enone (CHEBI:556075 )
monochlorobenzenes (CHEBI:556075 )

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	3.22	ALOGPS
logP	3.68	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	7.02	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	96.36 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	93.56 m³·mol⁻¹	ChemAxon
Polarizability	34.62 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

DB03758

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00040142

Chemspider ID

20137057

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Radicicol

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

556075

Good Scents ID

Not Available

References

General References

Fujita K, Irie M, Ping X, Taniguchi M: Antifungal activity of radicicol against Mucor flavus IFO 9560. J Biosci Bioeng. 1999;88(4):380-6. doi: 10.1016/s1389-1723(99)80214-x. [PubMed:16232632 ]
Corbett KD, Berger JM: Structural basis for topoisomerase VI inhibition by the anti-Hsp90 drug radicicol. Nucleic Acids Res. 2006;34(15):4269-77. doi: 10.1093/nar/gkl567. Epub 2006 Aug 18. [PubMed:16920739 ]
Ramirez V, Mejia-Vilet JM, Hernandez D, Gamba G, Bobadilla NA: Radicicol, a heat shock protein 90 inhibitor, reduces glomerular filtration rate. Am J Physiol Renal Physiol. 2008 Oct;295(4):F1044-51. doi: 10.1152/ajprenal.90278.2008. Epub 2008 Jul 30. [PubMed:18667483 ]
Sonoda H, Prachasilchai W, Kondo H, Yokota-Ikeda N, Oshikawa S, Ito K, Ikeda M: The protective effect of radicicol against renal ischemia--reperfusion injury in mice. J Pharmacol Sci. 2010;112(2):242-6. doi: 10.1254/jphs.09259sc. Epub 2010 Jan 22. [PubMed:20093793 ]
Zhou H, Qiao K, Gao Z, Vederas JC, Tang Y: Insights into radicicol biosynthesis via heterologous synthesis of intermediates and analogs. J Biol Chem. 2010 Dec 31;285(53):41412-21. doi: 10.1074/jbc.M110.183574. Epub 2010 Oct 20. [PubMed:20961859 ]
Shinonaga, H., et al. (2009). Shinonaga, H., et al, Tetrahedron 65, 3446 (2009). Tetrahedron.

Showing NP-Card for radicicol (NP0038159)

MOL for NP0038159 (radicicol)

3D MOL for NP0038159 (radicicol)

3D SDF for NP0038159 (radicicol)

3D-SDF for NP0038159 (radicicol)

PDB for NP0038159 (radicicol)

3D PDB for NP0038159 (radicicol)

SMILES for NP0038159 (radicicol)

INCHI for NP0038159 (radicicol)

Structure for NP0038159 (radicicol)

3D Structure for NP0038159 (radicicol)