NP-MRD: Showing NP-Card for chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene (NP0030251)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-06-19 21:39:12 UTC

Updated at

2021-06-29 23:58:06 UTC

NP-MRD ID

NP0030251

Secondary Accession Numbers

None

Natural Product Identification

Common Name

chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene

Provided By

JEOL Database JEOL Logo

Description

chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene is found in Dendrobium chrysotoxum and Tamus communis. chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene was first documented in 2007 (Kovacs, A. et al.). Based on a literature review very few articles have been published on 1,5,6,7-tetramethoxyphenanthren-2-ol.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192123393D          

 41 43  0  0  0  0            999 V2000
   -5.1782   -0.5628   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -0.9591   -1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7007   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1373    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.0794    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.6480    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.8956    2.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.5616    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.8143    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    1.4401    3.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    2.8557    3.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.3891    2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.5586    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -0.2314    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -0.4411    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.0520    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -0.2631    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.7792   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.0718   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -0.0075   -2.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -1.0372   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5639   -2.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.9895   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.5194   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -0.8147   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -1.1105    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.1406    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.9139    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3379    3.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    3.3213    4.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    3.2579    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    3.1155    3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    0.8407    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -0.5692    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.9647   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.1900   -3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    0.9638   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.0125   -3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.3645   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -3.3641   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.3752   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0  0  0  0
 15 14  1  0  0  0  0
  5 17  2  0  0  0  0
 14 12  2  0  0  0  0
 17 16  1  0  0  0  0
 12  9  1  0  0  0  0
  9  8  2  0  0  0  0
  5  4  1  0  0  0  0
  3  2  1  0  0  0  0
  8  7  1  0  0  0  0
  2  1  1  0  0  0  0
 21 18  2  0  0  0  0
 21 22  1  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  1  0  0  0  0
  4  3  2  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 12 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 18 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 27  1  0  0  0  0
  7 29  1  0  0  0  0
  6 28  1  0  0  0  0
 15 35  1  0  0  0  0
 14 34  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
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 13 33  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -5.1782   -0.5628   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -0.9591   -1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7007   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1373    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.0794    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.6480    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.8956    2.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.5616    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.8143    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    1.4401    3.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    2.8557    3.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.3891    2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.5586    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -0.2314    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -0.4411    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.0520    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -0.2631    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.7792   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.0718   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -0.0075   -2.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -1.0372   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5639   -2.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.9895   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.5194   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -0.8147   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -1.1105    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.1406    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.9139    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3379    3.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    3.3213    4.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    3.2579    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    3.1155    3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    0.8407    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -0.5692    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.9647   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.1900   -3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    0.9638   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.0125   -3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.3645   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -3.3641   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.3752   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0
 15 14  1  0
  5 17  2  0
 14 12  2  0
 17 16  1  0
 12  9  1  0
  9  8  2  0
  5  4  1  0
  3  2  1  0
  8  7  1  0
  2  1  1  0
 21 18  2  0
 21 22  1  0
  7  6  2  0
 22 23  1  0
  6  5  1  0
 18 19  1  0
  4  3  2  0
 19 20  1  0
  3 21  1  0
 12 13  1  0
  8 16  1  0
  9 10  1  0
 18 17  1  0
 10 11  1  0
  4 27  1  0
  7 29  1  0
  6 28  1  0
 15 35  1  0
 14 34  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 39  1  0
 23 40  1  0
 23 41  1  0
 20 36  1  0
 20 37  1  0
 20 38  1  0
 13 33  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
M  END


  Mrv1652306192123393D          

 41 43  0  0  0  0            999 V2000
   -5.1782   -0.5628   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -0.9591   -1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7007   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1373    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.0794    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.6480    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.8956    2.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.5616    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.8143    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    1.4401    3.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    2.8557    3.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.3891    2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.5586    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -0.2314    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -0.4411    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.0520    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -0.2631    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.7792   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.0718   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -0.0075   -2.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -1.0372   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5639   -2.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.9895   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.5194   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -0.8147   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -1.1105    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.1406    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.9139    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3379    3.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    3.3213    4.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    3.2579    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    3.1155    3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    0.8407    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -0.5692    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.9647   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.1900   -3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    0.9638   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.0125   -3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.3645   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -3.3641   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.3752   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0  0  0  0
 15 14  1  0  0  0  0
  5 17  2  0  0  0  0
 14 12  2  0  0  0  0
 17 16  1  0  0  0  0
 12  9  1  0  0  0  0
  9  8  2  0  0  0  0
  5  4  1  0  0  0  0
  3  2  1  0  0  0  0
  8  7  1  0  0  0  0
  2  1  1  0  0  0  0
 21 18  2  0  0  0  0
 21 22  1  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  1  0  0  0  0
  4  3  2  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 12 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 18 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 27  1  0  0  0  0
  7 29  1  0  0  0  0
  6 28  1  0  0  0  0
 15 35  1  0  0  0  0
 14 34  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
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 13 33  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030251

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C2C(C([H])=C([H])C3=C2C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])=C1OC([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O5/c1-20-14-9-10-5-6-12-11(7-8-13(19)16(12)21-2)15(10)18(23-4)17(14)22-3/h5-9,19H,1-4H3

> <INCHI_KEY>
JILKBZSAOHQOQD-UHFFFAOYSA-N

> <FORMULA>
C18H18O5

> <MOLECULAR_WEIGHT>
314.337

> <EXACT_MASS>
314.11542368

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
33.57003150790091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,5,6,7-tetramethoxyphenanthren-2-ol

> <ALOGPS_LOGP>
3.18

> <JCHEM_LOGP>
3.0179489449999997

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.753463129952754

> <JCHEM_PKA_STRONGEST_BASIC>
-4.3273817448901735

> <JCHEM_POLAR_SURFACE_AREA>
57.150000000000006

> <JCHEM_REFRACTIVITY>
86.7921

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.22e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,5,6,7-tetramethoxyphenanthren-2-ol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -5.1782   -0.5628   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -0.9591   -1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7007   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1373    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.0794    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.6480    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.8956    2.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.5616    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.8143    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    1.4401    3.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    2.8557    3.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.3891    2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.5586    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -0.2314    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -0.4411    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.0520    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -0.2631    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.7792   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.0718   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -0.0075   -2.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -1.0372   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5639   -2.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.9895   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.5194   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -0.8147   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -1.1105    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.1406    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.9139    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3379    3.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    3.3213    4.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    3.2579    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    3.1155    3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    0.8407    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -0.5692    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.9647   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.1900   -3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    0.9638   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.0125   -3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.3645   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -3.3641   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.3752   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0
 15 14  1  0
  5 17  2  0
 14 12  2  0
 17 16  1  0
 12  9  1  0
  9  8  2  0
  5  4  1  0
  3  2  1  0
  8  7  1  0
  2  1  1  0
 21 18  2  0
 21 22  1  0
  7  6  2  0
 22 23  1  0
  6  5  1  0
 18 19  1  0
  4  3  2  0
 19 20  1  0
  3 21  1  0
 12 13  1  0
  8 16  1  0
  9 10  1  0
 18 17  1  0
 10 11  1  0
  4 27  1  0
  7 29  1  0
  6 28  1  0
 15 35  1  0
 14 34  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 39  1  0
 23 40  1  0
 23 41  1  0
 20 36  1  0
 20 37  1  0
 20 38  1  0
 13 33  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -5.178  -0.563  -0.497  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.048  -0.959  -1.260  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.808  -0.701  -0.740  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.559  -0.137   0.507  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.247   0.079   0.976  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.099   0.648   2.240  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.159   0.896   2.773  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.325   0.562   2.074  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.597   0.814   2.639  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.730   1.440   3.861  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.829   2.856   3.667  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.763   0.389   2.009  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.984   0.559   2.595  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.698  -0.231   0.782  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.447  -0.441   0.191  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.217  -0.052   0.793  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.105  -0.263   0.201  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.399  -0.779  -1.102  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.620  -1.072  -1.985  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.769  -0.008  -2.930  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.716  -1.037  -1.535  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.932  -1.564  -2.789  0.00  0.00           O+0
HETATM   23  C   UNK     0      -1.919  -2.990  -2.719  0.00  0.00           C+0
HETATM   24  H   UNK     0      -5.184   0.519  -0.330  0.00  0.00           H+0
HETATM   25  H   UNK     0      -6.075  -0.815  -1.071  0.00  0.00           H+0
HETATM   26  H   UNK     0      -5.226  -1.111   0.450  0.00  0.00           H+0
HETATM   27  H   UNK     0      -3.389   0.141   1.152  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.969   0.914   2.839  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.219   1.338   3.766  0.00  0.00           H+0
HETATM   30  H   UNK     0       2.905   3.321   4.654  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.939   3.258   3.171  0.00  0.00           H+0
HETATM   32  H   UNK     0       3.729   3.115   3.100  0.00  0.00           H+0
HETATM   33  H   UNK     0       4.798   0.841   3.510  0.00  0.00           H+0
HETATM   34  H   UNK     0       4.603  -0.569   0.287  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.462  -0.965  -0.760  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.690  -0.190  -3.491  0.00  0.00           H+0
HETATM   37  H   UNK     0       0.865   0.964  -2.431  0.00  0.00           H+0
HETATM   38  H   UNK     0      -0.060   0.013  -3.643  0.00  0.00           H+0
HETATM   39  H   UNK     0      -0.942  -3.365  -2.395  0.00  0.00           H+0
HETATM   40  H   UNK     0      -2.707  -3.364  -2.057  0.00  0.00           H+0
HETATM   41  H   UNK     0      -2.111  -3.375  -3.725  0.00  0.00           H+0
CONECT    1    2   24   25   26                                             
CONECT    2    3    1                                                       
CONECT    3    2    4   21                                                  
CONECT    4    5    3   27                                                  
CONECT    5   17    4    6                                                  
CONECT    6    7    5   28                                                  
CONECT    7    8    6   29                                                  
CONECT    8    9    7   16                                                  
CONECT    9   12    8   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   30   31   32                                             
CONECT   12   14    9   13                                                  
CONECT   13   12   33                                                       
CONECT   14   15   12   34                                                  
CONECT   15   16   14   35                                                  
CONECT   16   15   17    8                                                  
CONECT   17    5   16   18                                                  
CONECT   18   21   19   17                                                  
CONECT   19   18   20                                                       
CONECT   20   19   36   37   38                                             
CONECT   21   18   22    3                                                  
CONECT   22   21   23                                                       
CONECT   23   22   39   40   41                                             
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    1                                                            
CONECT   27    4                                                            
CONECT   28    6                                                            
CONECT   29    7                                                            
CONECT   30   11                                                            
CONECT   31   11                                                            
CONECT   32   11                                                            
CONECT   33   13                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   20                                                            
CONECT   37   20                                                            
CONECT   38   20                                                            
CONECT   39   23                                                            
CONECT   40   23                                                            
CONECT   41   23                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

RDKit          3D

41 43  0  0  0  0  0  0  0  0999 V2000
   -5.1782   -0.5628   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -0.9591   -1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7007   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.1373    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.0794    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.6480    2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.8956    2.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.5616    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    0.8143    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    1.4401    3.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    2.8557    3.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.3891    2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.5586    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -0.2314    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -0.4411    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.0520    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -0.2631    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.7792   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.0718   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -0.0075   -2.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157   -1.0372   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5639   -2.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.9895   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.5194   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -0.8147   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -1.1105    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.1406    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.9139    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3379    3.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    3.3213    4.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    3.2579    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    3.1155    3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    0.8407    3.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -0.5692    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.9647   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -0.1900   -3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    0.9638   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.0125   -3.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.3645   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -3.3641   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.3752   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0
 15 14  1  0
  5 17  2  0
 14 12  2  0
 17 16  1  0
 12  9  1  0
  9  8  2  0
  5  4  1  0
  3  2  1  0
  8  7  1  0
  2  1  1  0
 21 18  2  0
 21 22  1  0
  7  6  2  0
 22 23  1  0
  6  5  1  0
 18 19  1  0
  4  3  2  0
 19 20  1  0
  3 21  1  0
 12 13  1  0
  8 16  1  0
  9 10  1  0
 18 17  1  0
 10 11  1  0
  4 27  1  0
  7 29  1  0
  6 28  1  0
 15 35  1  0
 14 34  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 39  1  0
 23 40  1  0
 23 41  1  0
 20 36  1  0
 20 37  1  0
 20 38  1  0
 13 33  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Not Available

Chemical Formula

C₁₈H₁₈O₅

Average Mass

314.3370 Da

Monoisotopic Mass

314.11542 Da

IUPAC Name

1,5,6,7-tetramethoxyphenanthren-2-ol

Traditional Name

1,5,6,7-tetramethoxyphenanthren-2-ol

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C([H])=C2C(C([H])=C([H])C3=C2C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])=C1OC([H])([H])[H]

InChI Identifier

InChI=1S/C18H18O5/c1-20-14-9-10-5-6-12-11(7-8-13(19)16(12)21-2)15(10)18(23-4)17(14)22-3/h5-9,19H,1-4H3

InChI Key

JILKBZSAOHQOQD-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dendrobium chrysotoxum	LOTUS Database	35616633
Dioscorea communis	JEOL database	Kovacs, A. et al, Phytochemistry 68, 687 (2007)

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as phenanthrols. These are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Phenanthrols

Direct Parent

Phenanthrols

Alternative Parents

Substituents

Phenanthrol
2-naphthol
Naphthalene
Phenol ether
Anisole
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	3.18	ALOGPS
logP	3.02	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	9.75	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	57.15 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	86.79 m³·mol⁻¹	ChemAxon
Polarizability	33.57 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

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4475060

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5315859

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kovacs, A. et al. (2007). Kovacs, A. et al, Phytochemistry 68, 687 (2007). Phytochem..

Showing NP-Card for chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene (NP0030251)

MOL for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

3D MOL for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

3D SDF for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

3D-SDF for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

PDB for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

3D PDB for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

SMILES for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

INCHI for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

Structure for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)

3D Structure for NP0030251 (chrysotoxene, 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene)