NP-MRD: Showing NP-Card for (3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol (NP0322977)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-12 02:06:05 UTC

Updated at

2022-09-12 02:06:06 UTC

NP-MRD ID

NP0322977

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol

Description

(5R)-15-[(3R)-8-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-10-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1,3,7,9,11(16),12,14-heptaen-14-ol belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond. (3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol is found in Murraya koenigii. Based on a literature review very few articles have been published on (5R)-15-[(3R)-8-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-10-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1,3,7,9,11(16),12,14-heptaen-14-ol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122204062D          

 52 59  0  0  1  0            999 V2000
    9.2118   -6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506   -6.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   -6.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6472   -5.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9859   -4.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0825   -3.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4213   -3.4222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0219   -2.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0503   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266   -4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7740   -3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1449   -2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6923   -2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686   -2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976   -2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9503   -3.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626   -3.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293   -4.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -5.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842   -5.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174   -5.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8117   -6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -6.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568   -5.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852   -5.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -5.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455   -5.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255   -6.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -8.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508   -7.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -6.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -6.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018   -5.9887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2025   -6.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -5.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -4.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312   -3.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3924   -2.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733   -3.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -5.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4072   -5.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -3.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -2.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -3.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686   -2.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 29 35  2  0  0  0  0
 26 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  6  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 37 45  1  0  0  0  0
 45 46  2  0  0  0  0
 30 46  1  0  0  0  0
 20 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  2  0  0  0  0
 50 51  1  0  0  0  0
 19 51  2  0  0  0  0
 16 51  1  0  0  0  0
 12 52  1  0  0  0  0
  7 52  1  0  0  0  0
M  END

     RDKit          3D

100107  0  0  0  0  0  0  0  0999 V2000
    7.4016    3.1386    2.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9675    3.7141    1.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4465    5.1111    1.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488    2.9829    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148    3.5640   -0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5013    2.7989   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    1.3716   -1.7366 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9100    1.2131   -2.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.8791   -2.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.1256   -2.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403   -0.8233   -0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2280   -0.4317   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5657   -1.0856    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7441   -0.6464    1.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7553   -2.1437    1.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -2.5447    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3503   -1.8735   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442   -2.4363   -1.0211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -3.4494   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501   -4.3150   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1580   -4.1955   -1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969   -4.8464   -2.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -5.6155   -2.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -4.7212   -3.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183   -3.9447   -3.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1906   -3.2847   -2.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -3.4239   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -2.6918   -0.4817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9872   -2.1141   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8939   -1.2928   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379   -0.8139   -0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3032   -1.1744   -2.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5276   -0.6577   -2.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907   -1.9951   -2.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471   -2.4700   -2.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8994    0.0046   -0.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7820    0.2998    1.1663 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9562   -0.2864    1.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7539    1.8142    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9580    2.5015    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8083    3.9696    1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7310    4.5997    1.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5864    6.0419    2.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9176    3.8646    2.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5546   -0.2176    1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712   -0.9506    1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731   -5.2809    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -5.3951    1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817   -6.3899    2.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -4.5149    1.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892   -3.5268    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    0.6274   -0.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5067    2.8478    3.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0518    2.2558    2.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9370    3.9442    3.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4012    5.1787    1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0951    5.7096    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5403    5.5795    2.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476    1.9588    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    4.5987   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4663    3.7447   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6118    2.9046   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    3.3705   -2.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409    1.6209   -3.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836    0.1254   -2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8498    1.6346   -2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032    1.3947   -3.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -0.4735   -2.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.4283    1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803   -1.4655    2.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161    0.2092    2.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9719   -2.6836    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919   -2.1286   -1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -6.0954   -3.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606   -5.2419   -4.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5894   -3.8514   -4.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3588   -2.6190    0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6010    0.4462   -2.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5712   -1.0506   -3.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4586   -1.0298   -2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5810   -2.2883   -3.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917    0.1586    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9128   -0.1533    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7377   -1.3775    2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6387    2.0748    2.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8555    2.2066    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9534    2.4530   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9176    2.0993    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9211    4.4422    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8647    6.1534    2.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5631    6.4493    2.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1941    6.6250    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4505    3.5055    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5815    4.4931    2.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5797    2.9705    2.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3723    0.0351    2.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755   -1.3040    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2551   -5.9679    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -7.2819    2.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1559   -4.5675    2.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  7 52  1  0
 52 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  2  0
 11 17  1  0
 17 16  2  0
 16 15  1  0
 15 13  2  0
 13 14  1  0
 16 51  1  0
 51 19  2  0
 19 18  1  0
 19 20  1  0
 20 47  2  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 35  2  0
 35 34  1  0
 34 32  2  0
 32 33  1  0
 32 31  1  0
 31 30  2  0
 30 46  1  0
 46 45  2  0
 45 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  3
 42 43  1  0
 42 44  1  0
 37 36  1  0
  9  7  1  0
 18 17  1  0
 27 21  1  0
 30 29  1  0
 13 12  1  0
 50 51  1  0
 35 26  1  0
 36 31  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  3 56  1  0
  3 57  1  0
  3 58  1  0
  4 59  1  0
  5 60  1  0
  5 61  1  0
  6 62  1  0
  6 63  1  0
  8 64  1  0
  8 65  1  0
  8 66  1  0
 10 68  1  0
  9 67  1  0
 15 72  1  0
 14 69  1  0
 14 70  1  0
 14 71  1  0
 18 73  1  0
 47 98  1  0
 49 99  1  0
 50100  1  0
 23 74  1  0
 24 75  1  0
 25 76  1  0
 28 77  1  0
 34 81  1  0
 33 78  1  0
 33 79  1  0
 33 80  1  0
 46 97  1  0
 45 96  1  0
 38 82  1  0
 38 83  1  0
 38 84  1  0
 39 85  1  0
 39 86  1  0
 40 87  1  0
 40 88  1  0
 41 89  1  0
 43 90  1  0
 43 91  1  0
 43 92  1  0
 44 93  1  0
 44 94  1  0
 44 95  1  0
M  END


  Mrv1652309122204062D          

 52 59  0  0  1  0            999 V2000
    9.2118   -6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506   -6.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   -6.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6472   -5.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9859   -4.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0825   -3.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4213   -3.4222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0219   -2.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0503   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266   -4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7740   -3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1449   -2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6923   -2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686   -2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976   -2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9503   -3.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626   -3.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293   -4.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -5.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842   -5.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174   -5.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8117   -6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -6.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568   -5.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852   -5.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -5.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455   -5.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255   -6.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -8.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508   -7.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -6.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -6.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018   -5.9887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2025   -6.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -5.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -4.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312   -3.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3924   -2.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733   -3.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -5.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4072   -5.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -3.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -2.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -3.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686   -2.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 29 35  2  0  0  0  0
 26 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  6  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 37 45  1  0  0  0  0
 45 46  2  0  0  0  0
 30 46  1  0  0  0  0
 20 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  2  0  0  0  0
 50 51  1  0  0  0  0
 19 51  2  0  0  0  0
 16 51  1  0  0  0  0
 12 52  1  0  0  0  0
  7 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0322977

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC[C@@]1(C)OC2=C(C=C1)C1=C(C=C2C)C2=C(N1)C(=CC(O)=C2)C1=C(O)C=CC2=C1NC1=C2C=C(C)C2=C1C=C[C@@](C)(CCC=C(C)C)O2

> <INCHI_IDENTIFIER>
InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-31-39-33(21-27(5)43(31)51-45)30-13-14-37(50)38(42(30)48-39)36-24-29(49)23-35-34-22-28(6)44-32(40(34)47-41(35)36)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3/t45-,46-/m1/s1

> <INCHI_KEY>
SKXBCBCNJMSJRS-AWSIMMLFSA-N

> <FORMULA>
C46H48N2O4

> <MOLECULAR_WEIGHT>
692.9

> <EXACT_MASS>
692.361408034

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
82.09811801689705

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-15-[(3R)-8-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-10-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaen-14-ol

> <JCHEM_LOGP>
11.552045874000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.956311792712377

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.233398620405925

> <JCHEM_PKA_STRONGEST_BASIC>
-4.6194253757315815

> <JCHEM_POLAR_SURFACE_AREA>
90.5

> <JCHEM_REFRACTIVITY>
216.30480000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-15-[(3R)-8-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11H-pyrano[3,2-a]carbazol-10-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaen-14-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      17.195 -12.210   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.961 -11.289   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.546 -11.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.141  -9.759   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.907  -8.838   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.087  -7.309   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.853  -6.388   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.974  -5.332   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.160  -7.764   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.623  -7.852   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.778  -6.564   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.471  -5.189   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.626  -3.901   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.318  -2.526   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.088  -3.989   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.396  -5.365   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.241  -6.652   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       8.277  -7.854   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       6.837  -7.309   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.468  -8.014   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.395  -9.553   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.690 -10.385   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.059  -9.679   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.617 -11.923   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.248 -12.629   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.953 -11.797   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.026 -10.258   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       2.586  -9.713   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       1.622 -10.915   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.085 -11.003   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.608 -12.378   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.237 -13.666   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.455 -15.041   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.775 -13.578   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.467 -12.202   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.145 -12.466   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -2.990 -11.179   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.111 -12.235   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.224 -10.258   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.044  -8.729   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.278  -7.808   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.098  -6.278   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -6.332  -5.358   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -3.683  -5.670   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -2.298  -9.803   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -0.760  -9.715   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.172  -7.182   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.246  -5.644   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       2.950  -4.811   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       5.614  -4.938   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       6.910  -5.770   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      13.008  -5.101   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   52                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13   52                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   51                                                  
CONECT   17   16   11   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   51                                                  
CONECT   20   19   21   47                                                  
CONECT   21   20   22   27                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   21   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   35                                                  
CONECT   30   29   31   46                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   29   26                                                  
CONECT   36   31   37                                                       
CONECT   37   36   38   39   45                                             
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   37   46                                                       
CONECT   46   45   30                                                       
CONECT   47   20   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   19   16                                                  
CONECT   52   12    7                                                       
MASTER        0    0    0    0    0    0    0    0   52    0  118    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₆H₄₈N₂O₄

Average Mass

692.9000 Da

Monoisotopic Mass

692.36141 Da

IUPAC Name

Traditional Name

(5R)-15-[(3R)-8-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11H-pyrano[3,2-a]carbazol-10-yl]-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaen-14-ol

CAS Registry Number

Not Available

SMILES

CC(C)=CCC[C@@]1(C)OC2=C(C=C1)C1=C(C=C2C)C2=C(N1)C(=CC(O)=C2)C1=C(O)C=CC2=C1NC1=C2C=C(C)C2=C1C=C[C@@](C)(CCC=C(C)C)O2

InChI Identifier

InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-31-39-33(21-27(5)43(31)51-45)30-13-14-37(50)38(42(30)48-39)36-24-29(49)23-35-34-22-28(6)44-32(40(34)47-41(35)36)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3/t45-,46-/m1/s1

InChI Key

SKXBCBCNJMSJRS-AWSIMMLFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Murraya koenigii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenols

Direct Parent

Biphenols

Alternative Parents

Substituents

Biphenol
Carbazole
Benzopyran
Hydroxyindole
1-benzopyran
Indole
Indole or derivatives
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Heteroaromatic compound
Pyrrole
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen 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	11.55	ChemAxon
pKa (Strongest Acidic)	9.23	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	90.5 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	216.3 m³·mol⁻¹	ChemAxon
Polarizability	82.1 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163194534

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol (NP0322977)

MOL for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

3D MOL for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

3D SDF for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

3D-SDF for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

PDB for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

3D PDB for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

SMILES for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

INCHI for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

Structure for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)

3D Structure for NP0322977 ((3r)-10-[(3r)-9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-10-yl]-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazol-8-ol)