Natural Product: NPC1108

Natural Product ID:  NPC1108
Common Name:   (3S,3'z,5'ar,6's,7'as)-3'-Butylidene-6'-Propylspiro[4,5-Dihydro-2-Benzofuran-3,7'-5,5A,6,7A-Tetrahydro-4H-Cyclobuta[G][2]Benzofuran]-1,1'-Dione
IUPAC Name:   (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione
Synonyms:  
Molecular Formula:   C24H28O4
Standard InCHIKey:  TYSOMZQRYGBSKN-DRQJQJQISA-N
Standard InCHI:  InChI=1S/C24H28O4/c1-3-5-11-19-16-13-12-14-17(8-4-2)24(21(14)20(16)23(26)27-19)18-10-7-6-9-15(18)22(25)28-24/h6,9,11,14,17,21H,3-5,7-8,10,12-13H2,1-2H3/b19-11-/t14-,17+,21+,24-/m1/s1
Canonical SMILES:  CCC/C=C/1OC(=O)C2=C1CC[C@H]1[C@@H]2[C@]2([C@H]1CCC)OC(=O)C1=C2CCC=C1
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota TM-MC*
NPO2154 Ligusticum tenuissimum Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 46100 nM 22574648
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 44800 nM 22574648
NPT311 Cell Line SK-LU-1 Homo sapiens IC50 = 13200 nM 22574648

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC1108 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8261 Intermediate Similarity NPC472302
0.8085 Intermediate Similarity NPC469372
0.8021 Intermediate Similarity NPC477130
0.8021 Intermediate Similarity NPC477129
0.7979 Intermediate Similarity NPC284561
0.7979 Intermediate Similarity NPC173042
0.7938 Intermediate Similarity NPC295347
0.7938 Intermediate Similarity NPC127197
0.7895 Intermediate Similarity NPC212679
0.7895 Intermediate Similarity NPC469595
0.7895 Intermediate Similarity NPC220454
0.7872 Intermediate Similarity NPC226863
0.7778 Intermediate Similarity NPC208094
0.7745 Intermediate Similarity NPC271059
0.7745 Intermediate Similarity NPC25666
0.7742 Intermediate Similarity NPC189311
0.7732 Intermediate Similarity NPC475657
0.7717 Intermediate Similarity NPC193198
0.7714 Intermediate Similarity NPC137911
0.7714 Intermediate Similarity NPC228477
0.7684 Intermediate Similarity NPC477128
0.7653 Intermediate Similarity NPC38830
0.764 Intermediate Similarity NPC54996
0.7629 Intermediate Similarity NPC166110
0.7609 Intermediate Similarity NPC186276
0.7609 Intermediate Similarity NPC268122
0.7579 Intermediate Similarity NPC181327
0.7576 Intermediate Similarity NPC171395
0.7551 Intermediate Similarity NPC248193
0.7549 Intermediate Similarity NPC244456
0.7549 Intermediate Similarity NPC469657
0.7527 Intermediate Similarity NPC22611
0.7527 Intermediate Similarity NPC118423
0.7526 Intermediate Similarity NPC280592
0.7526 Intermediate Similarity NPC253177
0.7526 Intermediate Similarity NPC213636
0.75 Intermediate Similarity NPC112654
0.75 Intermediate Similarity NPC42470
0.7474 Intermediate Similarity NPC168248
0.7451 Intermediate Similarity NPC54705
0.7449 Intermediate Similarity NPC193396
0.7449 Intermediate Similarity NPC296114
0.7449 Intermediate Similarity NPC65513
0.7449 Intermediate Similarity NPC32944
0.7449 Intermediate Similarity NPC471329
0.7447 Intermediate Similarity NPC30486
0.7444 Intermediate Similarity NPC473825
0.7429 Intermediate Similarity NPC477125
0.7429 Intermediate Similarity NPC34768
0.7426 Intermediate Similarity NPC84335
0.7426 Intermediate Similarity NPC38530
0.7423 Intermediate Similarity NPC5509
0.7423 Intermediate Similarity NPC142159
0.7423 Intermediate Similarity NPC36668
0.7423 Intermediate Similarity NPC118011
0.7423 Intermediate Similarity NPC95364
0.7419 Intermediate Similarity NPC200513
0.74 Intermediate Similarity NPC473369
0.74 Intermediate Similarity NPC209355
0.7396 Intermediate Similarity NPC312561
0.7391 Intermediate Similarity NPC195424
0.7358 Intermediate Similarity NPC302788
0.7347 Intermediate Similarity NPC281942
0.7347 Intermediate Similarity NPC232426
0.7333 Intermediate Similarity NPC476001
0.7333 Intermediate Similarity NPC474898
0.7327 Intermediate Similarity NPC301596
0.7327 Intermediate Similarity NPC299396
0.7327 Intermediate Similarity NPC172998
0.732 Intermediate Similarity NPC478261
0.732 Intermediate Similarity NPC473658
0.732 Intermediate Similarity NPC478260
0.732 Intermediate Similarity NPC478259
0.732 Intermediate Similarity NPC215831
0.732 Intermediate Similarity NPC26078
0.732 Intermediate Similarity NPC196407
0.7308 Intermediate Similarity NPC273005
0.7308 Intermediate Similarity NPC235369
0.7308 Intermediate Similarity NPC469606
0.7308 Intermediate Similarity NPC31058
0.7292 Intermediate Similarity NPC220478
0.7273 Intermediate Similarity NPC141831
0.7263 Intermediate Similarity NPC159635
0.7255 Intermediate Similarity NPC53844
0.7255 Intermediate Similarity NPC110937
0.7255 Intermediate Similarity NPC476253
0.7255 Intermediate Similarity NPC202705
0.7253 Intermediate Similarity NPC187568
0.7253 Intermediate Similarity NPC103987
0.7253 Intermediate Similarity NPC53581
0.7253 Intermediate Similarity NPC316500
0.7253 Intermediate Similarity NPC41780
0.7253 Intermediate Similarity NPC316324
0.7245 Intermediate Similarity NPC307092
0.7245 Intermediate Similarity NPC73995
0.7245 Intermediate Similarity NPC285982
0.7245 Intermediate Similarity NPC168131
0.7245 Intermediate Similarity NPC51358
0.7241 Intermediate Similarity NPC265574
0.7241 Intermediate Similarity NPC232812
0.7234 Intermediate Similarity NPC35556
0.7234 Intermediate Similarity NPC94200
0.7228 Intermediate Similarity NPC273197
0.7228 Intermediate Similarity NPC234339
0.7228 Intermediate Similarity NPC31021
0.7216 Intermediate Similarity NPC75315
0.7216 Intermediate Similarity NPC163016
0.7216 Intermediate Similarity NPC477228
0.7212 Intermediate Similarity NPC473384
0.7212 Intermediate Similarity NPC168319
0.7212 Intermediate Similarity NPC194028
0.72 Intermediate Similarity NPC471571
0.72 Intermediate Similarity NPC476597
0.72 Intermediate Similarity NPC476598
0.7196 Intermediate Similarity NPC179380
0.7188 Intermediate Similarity NPC147921
0.7188 Intermediate Similarity NPC215364
0.7188 Intermediate Similarity NPC65661
0.7188 Intermediate Similarity NPC78089
0.7174 Intermediate Similarity NPC471220
0.7174 Intermediate Similarity NPC128276
0.717 Intermediate Similarity NPC189616
0.7159 Intermediate Similarity NPC64234
0.7159 Intermediate Similarity NPC37929
0.7157 Intermediate Similarity NPC260796
0.7157 Intermediate Similarity NPC311166
0.7143 Intermediate Similarity NPC123360
0.7143 Intermediate Similarity NPC193843
0.7143 Intermediate Similarity NPC72397
0.7143 Intermediate Similarity NPC475320
0.7143 Intermediate Similarity NPC476081
0.7143 Intermediate Similarity NPC24816
0.7143 Intermediate Similarity NPC473223
0.7143 Intermediate Similarity NPC471956
0.7143 Intermediate Similarity NPC249889
0.7129 Intermediate Similarity NPC166143
0.7129 Intermediate Similarity NPC476596
0.7129 Intermediate Similarity NPC120351
0.7129 Intermediate Similarity NPC471994
0.7129 Intermediate Similarity NPC56525
0.7129 Intermediate Similarity NPC476415
0.7129 Intermediate Similarity NPC470697
0.7128 Intermediate Similarity NPC325031
0.7128 Intermediate Similarity NPC471325
0.7128 Intermediate Similarity NPC141810
0.7128 Intermediate Similarity NPC282293
0.7115 Intermediate Similarity NPC477720
0.7113 Intermediate Similarity NPC107787
0.7113 Intermediate Similarity NPC234038
0.7111 Intermediate Similarity NPC306928
0.7103 Intermediate Similarity NPC478052
0.7103 Intermediate Similarity NPC469607
0.71 Intermediate Similarity NPC45579
0.71 Intermediate Similarity NPC204341
0.71 Intermediate Similarity NPC289479
0.71 Intermediate Similarity NPC303697
0.71 Intermediate Similarity NPC49420
0.7097 Intermediate Similarity NPC178277
0.7091 Intermediate Similarity NPC179798
0.7091 Intermediate Similarity NPC304180
0.7087 Intermediate Similarity NPC257726
0.7087 Intermediate Similarity NPC204054
0.7083 Intermediate Similarity NPC71626
0.7083 Intermediate Similarity NPC475100
0.7083 Intermediate Similarity NPC196487
0.7083 Intermediate Similarity NPC14575
0.7083 Intermediate Similarity NPC149869
0.7075 Intermediate Similarity NPC132395
0.7075 Intermediate Similarity NPC471365
0.7075 Intermediate Similarity NPC471364
0.7071 Intermediate Similarity NPC310236
0.7071 Intermediate Similarity NPC212598
0.7071 Intermediate Similarity NPC280833
0.7071 Intermediate Similarity NPC471654
0.7071 Intermediate Similarity NPC106040
0.7071 Intermediate Similarity NPC115179
0.7071 Intermediate Similarity NPC174342
0.7065 Intermediate Similarity NPC57744
0.7059 Intermediate Similarity NPC183012
0.7059 Intermediate Similarity NPC20546
0.7059 Intermediate Similarity NPC33473
0.7053 Intermediate Similarity NPC178676
0.7053 Intermediate Similarity NPC173609
0.7053 Intermediate Similarity NPC471218
0.7048 Intermediate Similarity NPC146822
0.7048 Intermediate Similarity NPC474912
0.7048 Intermediate Similarity NPC469851
0.7048 Intermediate Similarity NPC474899
0.7041 Intermediate Similarity NPC171722
0.7041 Intermediate Similarity NPC125925
0.7041 Intermediate Similarity NPC160138
0.7041 Intermediate Similarity NPC475703
0.7037 Intermediate Similarity NPC469853
0.7033 Intermediate Similarity NPC244166
0.703 Intermediate Similarity NPC115021
0.703 Intermediate Similarity NPC166346
0.703 Intermediate Similarity NPC472303
0.703 Intermediate Similarity NPC242069
0.703 Intermediate Similarity NPC469939
0.7021 Intermediate Similarity NPC268827

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC1108 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7526 Intermediate Similarity NPD5207 Approved
0.7419 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5694 Approved
0.7273 Intermediate Similarity NPD5281 Approved
0.7273 Intermediate Similarity NPD5284 Approved
0.7172 Intermediate Similarity NPD5692 Phase 3
0.71 Intermediate Similarity NPD5693 Phase 1
0.71 Intermediate Similarity NPD6050 Approved
0.701 Intermediate Similarity NPD1694 Approved
0.6875 Remote Similarity NPD6053 Discontinued
0.6848 Remote Similarity NPD8039 Approved
0.6733 Remote Similarity NPD6080 Approved
0.6733 Remote Similarity NPD6904 Approved
0.6733 Remote Similarity NPD6673 Approved
0.6733 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6731 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5654 Approved
0.67 Remote Similarity NPD3573 Approved
0.6699 Remote Similarity NPD5779 Approved
0.6699 Remote Similarity NPD5778 Approved
0.6635 Remote Similarity NPD6001 Approved
0.6634 Remote Similarity NPD5737 Approved
0.6634 Remote Similarity NPD6903 Approved
0.6634 Remote Similarity NPD6672 Approved
0.6634 Remote Similarity NPD5208 Approved
0.6604 Remote Similarity NPD5959 Approved
0.66 Remote Similarity NPD7146 Approved
0.66 Remote Similarity NPD5330 Approved
0.66 Remote Similarity NPD7334 Approved
0.66 Remote Similarity NPD6409 Approved
0.66 Remote Similarity NPD7521 Approved
0.66 Remote Similarity NPD6684 Approved
0.6571 Remote Similarity NPD5695 Phase 3
0.6569 Remote Similarity NPD6101 Approved
0.6569 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6399 Phase 3
0.6486 Remote Similarity NPD6008 Approved
0.6476 Remote Similarity NPD7900 Approved
0.6476 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6411 Approved
0.6436 Remote Similarity NPD4694 Approved
0.6436 Remote Similarity NPD4519 Discontinued
0.6436 Remote Similarity NPD4623 Approved
0.6436 Remote Similarity NPD5280 Approved
0.6436 Remote Similarity NPD6098 Approved
0.6429 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6415 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6408 Remote Similarity NPD1695 Approved
0.6389 Remote Similarity NPD5696 Approved
0.6383 Remote Similarity NPD4687 Approved
0.6364 Remote Similarity NPD5209 Approved
0.6356 Remote Similarity NPD7115 Discovery
0.6354 Remote Similarity NPD4756 Discovery
0.6327 Remote Similarity NPD4695 Discontinued
0.6321 Remote Similarity NPD5282 Discontinued
0.6311 Remote Similarity NPD4518 Approved
0.6306 Remote Similarity NPD6052 Approved
0.63 Remote Similarity NPD7154 Phase 3
0.6296 Remote Similarity NPD6083 Phase 2
0.6296 Remote Similarity NPD6084 Phase 2
0.6296 Remote Similarity NPD7902 Approved
0.6275 Remote Similarity NPD5690 Phase 2
0.6261 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6261 Remote Similarity NPD2067 Discontinued
0.625 Remote Similarity NPD6051 Approved
0.6239 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6239 Remote Similarity NPD7638 Approved
0.6239 Remote Similarity NPD4225 Approved
0.6228 Remote Similarity NPD6686 Approved
0.622 Remote Similarity NPD7260 Phase 2
0.6211 Remote Similarity NPD5733 Approved
0.6211 Remote Similarity NPD4058 Approved
0.62 Remote Similarity NPD4223 Phase 3
0.62 Remote Similarity NPD4221 Approved
0.619 Remote Similarity NPD6698 Approved
0.619 Remote Similarity NPD5785 Approved
0.619 Remote Similarity NPD46 Approved
0.6182 Remote Similarity NPD7639 Approved
0.6182 Remote Similarity NPD6404 Discontinued
0.6182 Remote Similarity NPD7640 Approved
0.6174 Remote Similarity NPD4061 Clinical (unspecified phase)
0.617 Remote Similarity NPD5276 Approved
0.6168 Remote Similarity NPD7748 Approved
0.614 Remote Similarity NPD5697 Approved
0.614 Remote Similarity NPD6614 Approved
0.614 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6139 Remote Similarity NPD5362 Discontinued
0.6117 Remote Similarity NPD5279 Phase 3
0.6117 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6106 Remote Similarity NPD5909 Discontinued
0.6087 Remote Similarity NPD6011 Approved
0.6087 Remote Similarity NPD6881 Approved
0.6087 Remote Similarity NPD7320 Approved
0.6087 Remote Similarity NPD6899 Approved
0.6078 Remote Similarity NPD4197 Approved
0.6068 Remote Similarity NPD6650 Approved
0.6068 Remote Similarity NPD6649 Approved
0.6053 Remote Similarity NPD6675 Approved
0.6053 Remote Similarity NPD7128 Approved
0.6053 Remote Similarity NPD6402 Approved
0.6053 Remote Similarity NPD5739 Approved
0.6044 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7838 Discovery
0.6038 Remote Similarity NPD4096 Approved
0.6036 Remote Similarity NPD6648 Approved
0.6034 Remote Similarity NPD6012 Approved
0.6034 Remote Similarity NPD6014 Approved
0.6034 Remote Similarity NPD6372 Approved
0.6034 Remote Similarity NPD6013 Approved
0.6034 Remote Similarity NPD6373 Approved
0.6019 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5363 Approved
0.6019 Remote Similarity NPD5329 Approved
0.6 Remote Similarity NPD5701 Approved
0.5983 Remote Similarity NPD7290 Approved
0.5983 Remote Similarity NPD6883 Approved
0.5983 Remote Similarity NPD7102 Approved
0.5981 Remote Similarity NPD7515 Phase 2
0.5968 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5963 Remote Similarity NPD5210 Approved
0.5963 Remote Similarity NPD4629 Approved
0.5962 Remote Similarity NPD4688 Approved
0.5962 Remote Similarity NPD3618 Phase 1
0.5962 Remote Similarity NPD5205 Approved
0.5962 Remote Similarity NPD4690 Approved
0.5962 Remote Similarity NPD4693 Phase 3
0.5962 Remote Similarity NPD4689 Approved
0.5962 Remote Similarity NPD4138 Approved
0.5962 Remote Similarity NPD4249 Approved
0.596 Remote Similarity NPD3617 Approved
0.5957 Remote Similarity NPD4137 Phase 3
0.5943 Remote Similarity NPD4753 Phase 2
0.5941 Remote Similarity NPD5369 Approved
0.5934 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5932 Remote Similarity NPD8130 Phase 1
0.5932 Remote Similarity NPD6847 Approved
0.5932 Remote Similarity NPD6869 Approved
0.5932 Remote Similarity NPD6617 Approved
0.5926 Remote Similarity NPD5133 Approved
0.5923 Remote Similarity NPD6845 Suspended
0.5922 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5922 Remote Similarity NPD3666 Approved
0.5922 Remote Similarity NPD3665 Phase 1
0.5922 Remote Similarity NPD3668 Phase 3
0.5922 Remote Similarity NPD3133 Approved
0.5909 Remote Similarity NPD7732 Phase 3
0.5905 Remote Similarity NPD4251 Approved
0.5905 Remote Similarity NPD4250 Approved
0.5895 Remote Similarity NPD4691 Approved
0.5895 Remote Similarity NPD4747 Approved
0.5887 Remote Similarity NPD8517 Approved
0.5887 Remote Similarity NPD8515 Approved
0.5887 Remote Similarity NPD8516 Approved
0.5887 Remote Similarity NPD8513 Phase 3
0.5887 Remote Similarity NPD7503 Approved
0.5882 Remote Similarity NPD4269 Approved
0.5882 Remote Similarity NPD6882 Approved
0.5882 Remote Similarity NPD8297 Approved
0.5882 Remote Similarity NPD3667 Approved
0.5882 Remote Similarity NPD4270 Approved
0.5847 Remote Similarity NPD6371 Approved
0.5842 Remote Similarity NPD4820 Approved
0.5842 Remote Similarity NPD4819 Approved
0.5842 Remote Similarity NPD4821 Approved
0.5842 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5842 Remote Similarity NPD4822 Approved
0.5833 Remote Similarity NPD7637 Suspended
0.5833 Remote Similarity NPD7983 Approved
0.5827 Remote Similarity NPD7507 Approved
0.5825 Remote Similarity NPD3527 Clinical (unspecified phase)
0.581 Remote Similarity NPD5786 Approved
0.5806 Remote Similarity NPD7331 Phase 2
0.5806 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5798 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5798 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5798 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5794 Remote Similarity NPD7457 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5211 Phase 2
0.578 Remote Similarity NPD4202 Approved
0.5769 Remote Similarity NPD4786 Approved
0.5766 Remote Similarity NPD7614 Phase 1
0.5766 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5763 Remote Similarity NPD2182 Approved
0.576 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5752 Remote Similarity NPD4696 Approved
0.5752 Remote Similarity NPD5285 Approved
0.5752 Remote Similarity NPD5286 Approved
0.575 Remote Similarity NPD1609 Clinical (unspecified phase)
0.5743 Remote Similarity NPD4195 Approved
0.5738 Remote Similarity NPD690 Clinical (unspecified phase)
0.573 Remote Similarity NPD287 Approved
0.5728 Remote Similarity NPD6435 Approved
0.5727 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4755 Approved
0.5714 Remote Similarity NPD4191 Approved
0.5714 Remote Similarity NPD4193 Approved
0.5714 Remote Similarity NPD4194 Approved
0.5714 Remote Similarity NPD4192 Approved

Structure

External Identifiers

PubChem CID   6442656
ChEMBL   CHEMBL2047346
ZINC  

Physicochemical Properties

Molecular Weight:  380.20
ALogP:  0.1056
MLogP:  3.66
XLogP:  4.443
# Rotatable Bonds:  6
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  28

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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