NP-MRD: Showing NP-Card for gramniphenol G (NP0043217)

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Record Information

Version

1.0

Created at

2021-06-21 00:41:01 UTC

Updated at

2021-06-30 00:18:46 UTC

NP-MRD ID

NP0043217

Secondary Accession Numbers

None

Natural Product Identification

Common Name

gramniphenol G

Provided By

JEOL Database JEOL Logo

Description

Gramniphenol G belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. gramniphenol G is found in Arundina gramnifolia. It was first documented in 2021 (PMID: 34610644). Based on a literature review a significant number of articles have been published on Gramniphenol G (PMID: 34610603) (PMID: 34610587) (PMID: 34610583) (PMID: 34610560).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212102413D          

 41 44  0  0  0  0            999 V2000
   -1.2920   -3.2048    6.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -2.7011    5.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -2.3476    4.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -2.4342    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.0346    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -1.5421    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.1251    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.6145   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.4090   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.0723   -3.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353    0.1278   -4.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -0.2894   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -0.7707   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.8111   -1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.2434   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -0.2634   -4.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    0.2161   -6.2790 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8157    1.3964   -6.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.9315   -7.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.6595   -6.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    0.6221   -5.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.4603    2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8592    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -4.1310    5.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.4529    6.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -3.4385    7.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -2.8066    3.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -2.1139    1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.4122   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.3933   -3.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.0958   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    2.2125   -5.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.1007   -6.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.7906   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.8032   -7.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6414   -8.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.2678   -7.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.0257   -7.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.9463   -5.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.0861    1.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.7877    4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 20  1  0  0  0  0
 12 11  2  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7 15  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
  7  6  1  0  0  0  0
 11 10  1  0  0  0  0
 17 18  1  0  0  0  0
 10  9  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
  6  5  2  0  0  0  0
 14 13  2  0  0  0  0
  5  4  1  0  0  0  0
 13 12  1  0  0  0  0
  4  3  2  0  0  0  0
 14  9  1  0  0  0  0
  3 23  1  0  0  0  0
 21 11  1  0  0  0  0
 23 22  2  0  0  0  0
 22  6  1  0  0  0  0
 12 16  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 10 30  1  0  0  0  0
 13 31  1  0  0  0  0
  8 29  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
  5 28  1  0  0  0  0
  4 27  1  0  0  0  0
 23 41  1  0  0  0  0
 22 40  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  END

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.2920   -3.2048    6.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -2.7011    5.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -2.3476    4.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -2.4342    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.0346    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -1.5421    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.1251    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.6145   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.4090   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.0723   -3.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353    0.1278   -4.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -0.2894   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -0.7707   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.8111   -1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.2434   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -0.2634   -4.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    0.2161   -6.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8157    1.3964   -6.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.9315   -7.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.6595   -6.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    0.6221   -5.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.4603    2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8592    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -4.1310    5.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.4529    6.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -3.4385    7.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -2.8066    3.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -2.1139    1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.4122   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.3933   -3.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.0958   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    2.2125   -5.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.1007   -6.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.7906   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.8032   -7.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6414   -8.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.2678   -7.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.0257   -7.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.9463   -5.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.0861    1.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.7877    4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 20  1  0
 12 11  2  0
  9  8  1  0
  8  7  2  0
  7 15  1  0
 15 14  1  0
 17 16  1  0
  7  6  1  0
 11 10  1  0
 17 18  1  0
 10  9  2  0
 17 19  1  0
 20 21  2  0
  6  5  2  0
 14 13  2  0
  5  4  1  0
 13 12  1  0
  4  3  2  0
 14  9  1  0
  3 23  1  0
 21 11  1  0
 23 22  2  0
 22  6  1  0
 12 16  1  0
  3  2  1  0
  2  1  1  0
 20 38  1  0
 21 39  1  0
 10 30  1  0
 13 31  1  0
  8 29  1  0
 18 32  1  0
 18 33  1  0
 18 34  1  0
 19 35  1  0
 19 36  1  0
 19 37  1  0
  5 28  1  0
  4 27  1  0
 23 41  1  0
 22 40  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END


  Mrv1652306212102413D          

 41 44  0  0  0  0            999 V2000
   -1.2920   -3.2048    6.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -2.7011    5.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -2.3476    4.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -2.4342    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.0346    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -1.5421    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.1251    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.6145   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.4090   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.0723   -3.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353    0.1278   -4.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -0.2894   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -0.7707   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.8111   -1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.2434   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -0.2634   -4.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    0.2161   -6.2790 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8157    1.3964   -6.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.9315   -7.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.6595   -6.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    0.6221   -5.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.4603    2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8592    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -4.1310    5.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.4529    6.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -3.4385    7.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -2.8066    3.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -2.1139    1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.4122   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.3933   -3.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.0958   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    2.2125   -5.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.1007   -6.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.7906   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.8032   -7.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6414   -8.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.2678   -7.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.0257   -7.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.9463   -5.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.0861    1.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.7877    4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 20  1  0  0  0  0
 12 11  2  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7 15  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
  7  6  1  0  0  0  0
 11 10  1  0  0  0  0
 17 18  1  0  0  0  0
 10  9  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
  6  5  2  0  0  0  0
 14 13  2  0  0  0  0
  5  4  1  0  0  0  0
 13 12  1  0  0  0  0
  4  3  2  0  0  0  0
 14  9  1  0  0  0  0
  3 23  1  0  0  0  0
 21 11  1  0  0  0  0
 23 22  2  0  0  0  0
 22  6  1  0  0  0  0
 12 16  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 10 30  1  0  0  0  0
 13 31  1  0  0  0  0
  8 29  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
  5 28  1  0  0  0  0
  4 27  1  0  0  0  0
 23 41  1  0  0  0  0
 22 40  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043217

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1=C(OC2=C([H])C3=C(C([H])=C([H])C(O3)(C([H])([H])[H])C([H])([H])[H])C([H])=C12)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O3/c1-20(2)9-8-14-10-15-11-17(22-18(15)12-19(14)23-20)13-4-6-16(21-3)7-5-13/h4-12H,1-3H3

> <INCHI_KEY>
UDHFTJHEOIOAAC-UHFFFAOYSA-N

> <FORMULA>
C20H18O3

> <MOLECULAR_WEIGHT>
306.361

> <EXACT_MASS>
306.12559444

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
35.76154560553144

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-methoxyphenyl)-7,7-dimethyl-7H-furo[3,2-g]chromene

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
4.442547838666666

> <ALOGPS_LOGS>
-4.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8474052919866586

> <JCHEM_POLAR_SURFACE_AREA>
31.6

> <JCHEM_REFRACTIVITY>
90.76940000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.59e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-methoxyphenyl)-7,7-dimethylfuro[3,2-g]chromene

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.2920   -3.2048    6.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -2.7011    5.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -2.3476    4.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -2.4342    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.0346    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -1.5421    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.1251    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.6145   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.4090   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.0723   -3.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353    0.1278   -4.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -0.2894   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -0.7707   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.8111   -1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.2434   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -0.2634   -4.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    0.2161   -6.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8157    1.3964   -6.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.9315   -7.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.6595   -6.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    0.6221   -5.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.4603    2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8592    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -4.1310    5.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.4529    6.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -3.4385    7.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -2.8066    3.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -2.1139    1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.4122   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.3933   -3.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.0958   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    2.2125   -5.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.1007   -6.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.7906   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.8032   -7.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6414   -8.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.2678   -7.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.0257   -7.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.9463   -5.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.0861    1.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.7877    4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 20  1  0
 12 11  2  0
  9  8  1  0
  8  7  2  0
  7 15  1  0
 15 14  1  0
 17 16  1  0
  7  6  1  0
 11 10  1  0
 17 18  1  0
 10  9  2  0
 17 19  1  0
 20 21  2  0
  6  5  2  0
 14 13  2  0
  5  4  1  0
 13 12  1  0
  4  3  2  0
 14  9  1  0
  3 23  1  0
 21 11  1  0
 23 22  2  0
 22  6  1  0
 12 16  1  0
  3  2  1  0
  2  1  1  0
 20 38  1  0
 21 39  1  0
 10 30  1  0
 13 31  1  0
  8 29  1  0
 18 32  1  0
 18 33  1  0
 18 34  1  0
 19 35  1  0
 19 36  1  0
 19 37  1  0
  5 28  1  0
  4 27  1  0
 23 41  1  0
 22 40  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0      -1.292  -3.205   6.232  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.156  -2.701   5.541  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.337  -2.348   4.233  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.527  -2.434   3.515  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.570  -2.035   2.172  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.430  -1.542   1.521  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.474  -1.125   0.121  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.457  -0.615  -0.766  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.213  -0.409  -2.002  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.146   0.072  -3.274  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.835   0.128  -4.281  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.146  -0.289  -4.019  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.519  -0.771  -2.759  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.523  -0.811  -1.789  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.683  -1.243  -0.510  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.150  -0.263  -4.949  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.868   0.216  -6.279  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.816   1.396  -6.522  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.217  -0.932  -7.234  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.445   0.660  -6.532  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.487   0.622  -5.604  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.761  -1.460   2.255  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.804  -1.859   3.596  0.00  0.00           C+0
HETATM   24  H   UNK     0      -1.655  -4.131   5.774  0.00  0.00           H+0
HETATM   25  H   UNK     0      -2.086  -2.453   6.287  0.00  0.00           H+0
HETATM   26  H   UNK     0      -0.984  -3.438   7.256  0.00  0.00           H+0
HETATM   27  H   UNK     0      -2.442  -2.807   3.963  0.00  0.00           H+0
HETATM   28  H   UNK     0      -2.515  -2.114   1.637  0.00  0.00           H+0
HETATM   29  H   UNK     0       1.497  -0.412  -0.554  0.00  0.00           H+0
HETATM   30  H   UNK     0       1.165   0.393  -3.466  0.00  0.00           H+0
HETATM   31  H   UNK     0      -3.530  -1.096  -2.546  0.00  0.00           H+0
HETATM   32  H   UNK     0      -3.611   2.212  -5.819  0.00  0.00           H+0
HETATM   33  H   UNK     0      -4.858   1.101  -6.356  0.00  0.00           H+0
HETATM   34  H   UNK     0      -3.729   1.791  -7.541  0.00  0.00           H+0
HETATM   35  H   UNK     0      -2.578  -1.803  -7.047  0.00  0.00           H+0
HETATM   36  H   UNK     0      -3.103  -0.641  -8.284  0.00  0.00           H+0
HETATM   37  H   UNK     0      -4.249  -1.268  -7.080  0.00  0.00           H+0
HETATM   38  H   UNK     0      -1.204   1.026  -7.527  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.526   0.946  -5.812  0.00  0.00           H+0
HETATM   40  H   UNK     0       1.673  -1.086   1.799  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.738  -1.788   4.147  0.00  0.00           H+0
CONECT    1    2   24   25   26                                             
CONECT    2    3    1                                                       
CONECT    3    4   23    2                                                  
CONECT    4    5    3   27                                                  
CONECT    5    6    4   28                                                  
CONECT    6    7    5   22                                                  
CONECT    7    8   15    6                                                  
CONECT    8    9    7   29                                                  
CONECT    9    8   10   14                                                  
CONECT   10   11    9   30                                                  
CONECT   11   12   10   21                                                  
CONECT   12   11   13   16                                                  
CONECT   13   14   12   31                                                  
CONECT   14   15   13    9                                                  
CONECT   15    7   14                                                       
CONECT   16   17   12                                                       
CONECT   17   20   16   18   19                                             
CONECT   18   17   32   33   34                                             
CONECT   19   17   35   36   37                                             
CONECT   20   17   21   38                                                  
CONECT   21   20   11   39                                                  
CONECT   22   23    6   40                                                  
CONECT   23    3   22   41                                                  
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    1                                                            
CONECT   27    4                                                            
CONECT   28    5                                                            
CONECT   29    8                                                            
CONECT   30   10                                                            
CONECT   31   13                                                            
CONECT   32   18                                                            
CONECT   33   18                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   19                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   21                                                            
CONECT   40   22                                                            
CONECT   41   23                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

RDKit          3D

41 44  0  0  0  0  0  0  0  0999 V2000
   -1.2920   -3.2048    6.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -2.7011    5.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -2.3476    4.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272   -2.4342    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.0346    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -1.5421    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.1251    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.6145   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.4090   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.0723   -3.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8353    0.1278   -4.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -0.2894   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -0.7707   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231   -0.8111   -1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.2434   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499   -0.2634   -4.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    0.2161   -6.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8157    1.3964   -6.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.9315   -7.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.6595   -6.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    0.6221   -5.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.4603    2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8592    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -4.1310    5.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.4529    6.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -3.4385    7.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -2.8066    3.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -2.1139    1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.4122   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.3933   -3.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.0958   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    2.2125   -5.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    1.1007   -6.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.7906   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.8032   -7.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6414   -8.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489   -1.2678   -7.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.0257   -7.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.9463   -5.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.0861    1.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -1.7877    4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 20  1  0
 12 11  2  0
  9  8  1  0
  8  7  2  0
  7 15  1  0
 15 14  1  0
 17 16  1  0
  7  6  1  0
 11 10  1  0
 17 18  1  0
 10  9  2  0
 17 19  1  0
 20 21  2  0
  6  5  2  0
 14 13  2  0
  5  4  1  0
 13 12  1  0
  4  3  2  0
 14  9  1  0
  3 23  1  0
 21 11  1  0
 23 22  2  0
 22  6  1  0
 12 16  1  0
  3  2  1  0
  2  1  1  0
 20 38  1  0
 21 39  1  0
 10 30  1  0
 13 31  1  0
  8 29  1  0
 18 32  1  0
 18 33  1  0
 18 34  1  0
 19 35  1  0
 19 36  1  0
 19 37  1  0
  5 28  1  0
  4 27  1  0
 23 41  1  0
 22 40  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₁₈O₃

Average Mass

306.3610 Da

Monoisotopic Mass

306.12559 Da

IUPAC Name

2-(4-methoxyphenyl)-7,7-dimethyl-7H-furo[3,2-g]chromene

Traditional Name

2-(4-methoxyphenyl)-7,7-dimethylfuro[3,2-g]chromene

CAS Registry Number

Not Available

SMILES

[H]C1=C(OC2=C([H])C3=C(C([H])=C([H])C(O3)(C([H])([H])[H])C([H])([H])[H])C([H])=C12)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]

InChI Identifier

InChI=1S/C20H18O3/c1-20(2)9-8-14-10-15-11-17(22-18(15)12-19(14)23-20)13-4-6-16(21-3)7-5-13/h4-12H,1-3H3

InChI Key

UDHFTJHEOIOAAC-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, C₅D₅N, 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
Arundina graminifolia	JEOL database	Hu, Q. -F., et al, J. Nat. Prod. 76, 292 (2013)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
2-phenylbenzofuran
Phenylbenzofuran
2,2-dimethyl-1-benzopyran
Benzopyran
1-benzopyran
Benzofuran
Methoxybenzene
Phenol ether
Phenoxy compound
Anisole
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Furan
Oxacycle
Ether
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.7	ALOGPS
logP	4.44	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	31.6 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	90.77 m³·mol⁻¹	ChemAxon
Polarizability	35.76 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

29418005

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71579378

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Draeger DL, Groh S, Buchholz T, Woehl M, Nolting J, Hakenberg OW: Prediction of Treatment Response and Survival with Chemotherapy for Metastatic Penile Cancer by the Modified Glasgow Prognostic Score. Urol Int. 2021 Oct 5:1-7. doi: 10.1159/000519358. [PubMed:34610603 ]
Epstein RH, Jean YK, Dudaryk R, Freundlich RE, Walco JP, Mueller DA, Banks SE: Natural Language Mapping of Electrocardiogram Interpretations to a Standardized Ontology. Methods Inf Med. 2021 Oct 5. doi: 10.1055/s-0041-1736312. [PubMed:34610644 ]
Li C, Wang Y, Nong H, Hu X, Wu Y, Zhang Y, Liang C, Chen K, Li S: Manganese and dysprosium codoped carbon quantum dots as a potential fluorescent/T1/T2/CT quadri-modal imaging nanoprobe. Nanotechnology. 2021 Oct 22;33(2). doi: 10.1088/1361-6528/ac2d07. [PubMed:34610587 ]
Xu Z, Liu X, Yao K, Ren Y, Li J, Shen X, Li Z: 1T MoS2growth from exfoliated MoS2nucleation as high rate anode for sodium storage. Nanotechnology. 2021 Oct 22;33(2). doi: 10.1088/1361-6528/ac2d09. [PubMed:34610583 ]
Ferreira HM, Magris RA, Floeter SR, Ferreira CEL: Drivers of ecological effectiveness of marine protected areas: A meta-analytic approach from the Southwestern Atlantic Ocean (Brazil). J Environ Manage. 2021 Oct 4;301:113889. doi: 10.1016/j.jenvman.2021.113889. [PubMed:34610560 ]
Hu, Q. -F., et al. (2013). Hu, Q. -F., et al, J. Nat. Prod. 76, 292 (2013). J. Nat. Prod..

Showing NP-Card for gramniphenol G (NP0043217)

MOL for NP0043217 (gramniphenol G)

3D MOL for NP0043217 (gramniphenol G)

3D SDF for NP0043217 (gramniphenol G)

3D-SDF for NP0043217 (gramniphenol G)

PDB for NP0043217 (gramniphenol G)

3D PDB for NP0043217 (gramniphenol G)

SMILES for NP0043217 (gramniphenol G)

INCHI for NP0043217 (gramniphenol G)

Structure for NP0043217 (gramniphenol G)

3D Structure for NP0043217 (gramniphenol G)