Natural Product: NPC88593

Natural Product ID:  NPC88593
Common Name:   Orbiculin F
IUPAC Name:  
Synonyms:   Orbiculin F
Molecular Formula:   C34H36O11
Standard InCHIKey:  WTXHOBPQVWOYDA-LEOXFKOJSA-N
Standard InCHI:  InChI=1S/C34H36O11/c1-19-17-25(42-30(37)23-13-9-15-39-23)28(41-20(2)35)33(5)26(43-29(36)21-11-7-6-8-12-21)18-22-27(34(19,33)45-32(22,3)4)44-31(38)24-14-10-16-40-24/h6-16,19,22,25-28H,17-18H2,1-5H3/t19-,22-,25+,26+,27-,28+,33-,34-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@H]([C@@]23[C@]1(C)[C@@H](OC(=O)c1ccccc1)C[C@H]([C@H]3OC(=O)c1ccco1)C(O2)(C)C)C
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
NPO6349 Celastrus orbiculatus Species Celastraceae Eukaryota PMID[10346948]
NPO6349 Celastrus orbiculatus Species Celastraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 300000 nM 11809076
NPT2 Others Unspecified IC50 = 32400 nM 10346948
NPT2 Others Unspecified IC50 = 39300 nM 10346948
NPT2 Others Unspecified IC50 = 1100 nM 10346948
NPT2 Others Unspecified Ratio IC50 = 35.7 10346948
NPT2 Others Unspecified Ratio IC50 = 4.4 10346948
NPT2 Others Unspecified Ratio IC50 = 8.9 10346948
NPT2 Others Unspecified Ratio IC50 = 11 10346948

  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 NPC88593 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
0.9682 High Similarity NPC475039
0.9682 High Similarity NPC14499
0.9682 High Similarity NPC476035
0.9427 High Similarity NPC1408
0.9427 High Similarity NPC246841
0.9375 High Similarity NPC159520
0.9136 High Similarity NPC61967
0.9018 High Similarity NPC27541
0.9018 High Similarity NPC62692
0.9018 High Similarity NPC126984
0.8944 High Similarity NPC195954
0.8902 High Similarity NPC276735
0.8841 High Similarity NPC285567
0.8827 High Similarity NPC88007
0.8802 High Similarity NPC118086
0.878 High Similarity NPC68848
0.878 High Similarity NPC471003
0.875 High Similarity NPC475641
0.875 High Similarity NPC294512
0.875 High Similarity NPC475237
0.8735 High Similarity NPC277618
0.8734 High Similarity NPC71821
0.8727 High Similarity NPC283209
0.872 High Similarity NPC191828
0.872 High Similarity NPC8389
0.8712 High Similarity NPC194499
0.8712 High Similarity NPC469847
0.8706 High Similarity NPC176413
0.8706 High Similarity NPC56953
0.869 High Similarity NPC302392
0.8683 High Similarity NPC310572
0.8667 High Similarity NPC79571
0.865 High Similarity NPC104736
0.865 High Similarity NPC41880
0.8614 High Similarity NPC469846
0.8598 High Similarity NPC304692
0.8598 High Similarity NPC7059
0.8588 High Similarity NPC469848
0.858 High Similarity NPC322546
0.858 High Similarity NPC308205
0.8571 High Similarity NPC212257
0.8571 High Similarity NPC270312
0.8571 High Similarity NPC473753
0.8571 High Similarity NPC473766
0.8554 High Similarity NPC188649
0.8521 High Similarity NPC296558
0.8521 High Similarity NPC291742
0.8512 High Similarity NPC86800
0.8512 High Similarity NPC121995
0.8503 High Similarity NPC288602
0.8503 High Similarity NPC88841
0.8497 Intermediate Similarity NPC11062
0.8488 Intermediate Similarity NPC167340
0.8466 Intermediate Similarity NPC29695
0.8466 Intermediate Similarity NPC182427
0.8466 Intermediate Similarity NPC121615
0.8466 Intermediate Similarity NPC294511
0.8457 Intermediate Similarity NPC228842
0.8452 Intermediate Similarity NPC56358
0.8443 Intermediate Similarity NPC470939
0.8443 Intermediate Similarity NPC18986
0.8402 Intermediate Similarity NPC308156
0.8402 Intermediate Similarity NPC472141
0.8393 Intermediate Similarity NPC471168
0.8385 Intermediate Similarity NPC255414
0.8383 Intermediate Similarity NPC287559
0.8373 Intermediate Similarity NPC214495
0.8373 Intermediate Similarity NPC470119
0.8373 Intermediate Similarity NPC167142
0.8373 Intermediate Similarity NPC472283
0.8365 Intermediate Similarity NPC470231
0.8364 Intermediate Similarity NPC476262
0.8354 Intermediate Similarity NPC472672
0.8353 Intermediate Similarity NPC476850
0.8353 Intermediate Similarity NPC476861
0.8333 Intermediate Similarity NPC470792
0.8333 Intermediate Similarity NPC471167
0.8333 Intermediate Similarity NPC471166
0.8323 Intermediate Similarity NPC473473
0.8323 Intermediate Similarity NPC473368
0.8323 Intermediate Similarity NPC475295
0.8313 Intermediate Similarity NPC107646
0.8305 Intermediate Similarity NPC105395
0.8304 Intermediate Similarity NPC160651
0.8304 Intermediate Similarity NPC271235
0.8303 Intermediate Similarity NPC253201
0.8303 Intermediate Similarity NPC237259
0.8303 Intermediate Similarity NPC302054
0.8303 Intermediate Similarity NPC98206
0.8303 Intermediate Similarity NPC34421
0.8294 Intermediate Similarity NPC475779
0.8293 Intermediate Similarity NPC116717
0.8293 Intermediate Similarity NPC18135
0.8284 Intermediate Similarity NPC476197
0.8282 Intermediate Similarity NPC69647
0.8282 Intermediate Similarity NPC471001
0.8282 Intermediate Similarity NPC125182
0.8274 Intermediate Similarity NPC305016
0.8274 Intermediate Similarity NPC475381
0.8274 Intermediate Similarity NPC472653
0.8263 Intermediate Similarity NPC475066
0.8263 Intermediate Similarity NPC286722
0.8253 Intermediate Similarity NPC25351
0.8246 Intermediate Similarity NPC472775
0.8246 Intermediate Similarity NPC472774
0.8242 Intermediate Similarity NPC476201
0.8242 Intermediate Similarity NPC268905
0.8235 Intermediate Similarity NPC476856
0.8235 Intermediate Similarity NPC476857
0.8235 Intermediate Similarity NPC469849
0.8235 Intermediate Similarity NPC476858
0.8235 Intermediate Similarity NPC123088
0.8229 Intermediate Similarity NPC472665
0.8225 Intermediate Similarity NPC329938
0.8225 Intermediate Similarity NPC82851
0.8221 Intermediate Similarity NPC254558
0.8217 Intermediate Similarity NPC307401
0.8214 Intermediate Similarity NPC474611
0.8214 Intermediate Similarity NPC475967
0.8214 Intermediate Similarity NPC472671
0.8214 Intermediate Similarity NPC237155
0.8214 Intermediate Similarity NPC475226
0.8204 Intermediate Similarity NPC126723
0.8204 Intermediate Similarity NPC209364
0.8202 Intermediate Similarity NPC247563
0.8202 Intermediate Similarity NPC242068
0.8199 Intermediate Similarity NPC471107
0.8199 Intermediate Similarity NPC471100
0.8198 Intermediate Similarity NPC255787
0.8198 Intermediate Similarity NPC472652
0.8198 Intermediate Similarity NPC327922
0.8187 Intermediate Similarity NPC470875
0.8182 Intermediate Similarity NPC291150
0.8182 Intermediate Similarity NPC240214
0.8176 Intermediate Similarity NPC469338
0.8176 Intermediate Similarity NPC472139
0.8176 Intermediate Similarity NPC134254
0.8176 Intermediate Similarity NPC39986
0.8176 Intermediate Similarity NPC302369
0.8176 Intermediate Similarity NPC292389
0.8176 Intermediate Similarity NPC472669
0.8166 Intermediate Similarity NPC25255
0.8155 Intermediate Similarity NPC470118
0.8155 Intermediate Similarity NPC81405
0.815 Intermediate Similarity NPC470995
0.8144 Intermediate Similarity NPC75310
0.814 Intermediate Similarity NPC41689
0.814 Intermediate Similarity NPC173516
0.814 Intermediate Similarity NPC472282
0.814 Intermediate Similarity NPC476853
0.814 Intermediate Similarity NPC476224
0.814 Intermediate Similarity NPC472651
0.8133 Intermediate Similarity NPC246164
0.8129 Intermediate Similarity NPC476860
0.8129 Intermediate Similarity NPC276551
0.8129 Intermediate Similarity NPC470940
0.8121 Intermediate Similarity NPC476122
0.8121 Intermediate Similarity NPC5180
0.8118 Intermediate Similarity NPC193798
0.8118 Intermediate Similarity NPC472771
0.8118 Intermediate Similarity NPC472668
0.8113 Intermediate Similarity NPC4341
0.8113 Intermediate Similarity NPC48017
0.8113 Intermediate Similarity NPC43241
0.8113 Intermediate Similarity NPC473758
0.8113 Intermediate Similarity NPC476094
0.8113 Intermediate Similarity NPC473112
0.8113 Intermediate Similarity NPC200592
0.8113 Intermediate Similarity NPC147880
0.8113 Intermediate Similarity NPC473613
0.8113 Intermediate Similarity NPC211137
0.8113 Intermediate Similarity NPC473081
0.8113 Intermediate Similarity NPC184747
0.8113 Intermediate Similarity NPC473109
0.8113 Intermediate Similarity NPC473060
0.8113 Intermediate Similarity NPC473085
0.811 Intermediate Similarity NPC19747
0.811 Intermediate Similarity NPC470245
0.811 Intermediate Similarity NPC243165
0.811 Intermediate Similarity NPC473214
0.8107 Intermediate Similarity NPC84349
0.8107 Intermediate Similarity NPC472823
0.8107 Intermediate Similarity NPC477403
0.8107 Intermediate Similarity NPC123153
0.8107 Intermediate Similarity NPC140952
0.8103 Intermediate Similarity NPC285227
0.8098 Intermediate Similarity NPC62799
0.8098 Intermediate Similarity NPC470999
0.8095 Intermediate Similarity NPC60973
0.8095 Intermediate Similarity NPC175964
0.8095 Intermediate Similarity NPC263265
0.8095 Intermediate Similarity NPC471169
0.8092 Intermediate Similarity NPC471397
0.809 Intermediate Similarity NPC473729
0.809 Intermediate Similarity NPC254588
0.8089 Intermediate Similarity NPC291638
0.8089 Intermediate Similarity NPC472577
0.8089 Intermediate Similarity NPC195647
0.8089 Intermediate Similarity NPC66761
0.8089 Intermediate Similarity NPC17877

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC88593 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
0.8563 High Similarity NPD8434 Phase 2
0.7953 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD6764 Approved
0.7865 Intermediate Similarity NPD6765 Approved
0.7692 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6785 Approved
0.7692 Intermediate Similarity NPD6784 Approved
0.7544 Intermediate Similarity NPD6599 Discontinued
0.7543 Intermediate Similarity NPD919 Approved
0.7514 Intermediate Similarity NPD5761 Phase 2
0.7514 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD5760 Phase 2
0.7486 Intermediate Similarity NPD7075 Discontinued
0.7458 Intermediate Similarity NPD1247 Approved
0.7425 Intermediate Similarity NPD4628 Phase 3
0.7414 Intermediate Similarity NPD7819 Suspended
0.7403 Intermediate Similarity NPD5844 Phase 1
0.7401 Intermediate Similarity NPD5494 Approved
0.7377 Intermediate Similarity NPD6559 Discontinued
0.7371 Intermediate Similarity NPD3817 Phase 2
0.7368 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD8404 Phase 2
0.736 Intermediate Similarity NPD8127 Discontinued
0.7356 Intermediate Similarity NPD6801 Discontinued
0.7349 Intermediate Similarity NPD1471 Phase 3
0.7349 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6799 Approved
0.7278 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5402 Approved
0.7273 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD920 Approved
0.7232 Intermediate Similarity NPD4967 Phase 2
0.7232 Intermediate Similarity NPD4965 Approved
0.7232 Intermediate Similarity NPD4966 Approved
0.7232 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6273 Approved
0.72 Intermediate Similarity NPD7411 Suspended
0.7198 Intermediate Similarity NPD7473 Discontinued
0.7184 Intermediate Similarity NPD3226 Approved
0.7182 Intermediate Similarity NPD3926 Phase 2
0.7168 Intermediate Similarity NPD5403 Approved
0.7158 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7799 Discontinued
0.7152 Intermediate Similarity NPD6355 Discontinued
0.7151 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6234 Discontinued
0.7151 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD5401 Approved
0.7135 Intermediate Similarity NPD7236 Approved
0.7135 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD8032 Phase 2
0.7134 Intermediate Similarity NPD6233 Phase 2
0.7126 Intermediate Similarity NPD3748 Approved
0.7112 Intermediate Similarity NPD8313 Approved
0.7112 Intermediate Similarity NPD8312 Approved
0.7095 Intermediate Similarity NPD3749 Approved
0.7086 Intermediate Similarity NPD7458 Discontinued
0.7083 Intermediate Similarity NPD2796 Approved
0.7076 Intermediate Similarity NPD3887 Approved
0.7073 Intermediate Similarity NPD6798 Discontinued
0.7072 Intermediate Similarity NPD7199 Phase 2
0.7062 Intermediate Similarity NPD37 Approved
0.7049 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD6166 Phase 2
0.7049 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3882 Suspended
0.7039 Intermediate Similarity NPD7768 Phase 2
0.7033 Intermediate Similarity NPD6232 Discontinued
0.7029 Intermediate Similarity NPD7239 Suspended
0.7027 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD7095 Approved
0.7011 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8150 Discontinued
0.6994 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6984 Remote Similarity NPD8407 Phase 2
0.6983 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6190 Approved
0.6973 Remote Similarity NPD7228 Approved
0.6959 Remote Similarity NPD1243 Approved
0.6954 Remote Similarity NPD4107 Approved
0.6954 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6832 Phase 2
0.6927 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8455 Phase 2
0.6919 Remote Similarity NPD7003 Approved
0.6919 Remote Similarity NPD3750 Approved
0.6915 Remote Similarity NPD8368 Discontinued
0.6885 Remote Similarity NPD6959 Discontinued
0.6882 Remote Similarity NPD3818 Discontinued
0.6882 Remote Similarity NPD2438 Suspended
0.6882 Remote Similarity NPD3751 Discontinued
0.6878 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6878 Remote Similarity NPD7808 Phase 3
0.6872 Remote Similarity NPD1934 Approved
0.6871 Remote Similarity NPD3266 Approved
0.6871 Remote Similarity NPD3267 Approved
0.6867 Remote Similarity NPD3764 Approved
0.6865 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4380 Phase 2
0.685 Remote Similarity NPD7497 Discontinued
0.685 Remote Similarity NPD7435 Discontinued
0.6848 Remote Similarity NPD7229 Phase 3
0.6848 Remote Similarity NPD3787 Discontinued
0.6842 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2353 Approved
0.6842 Remote Similarity NPD2346 Discontinued
0.6842 Remote Similarity NPD5763 Approved
0.6842 Remote Similarity NPD5762 Approved
0.6839 Remote Similarity NPD8435 Approved
0.6834 Remote Similarity NPD4482 Phase 3
0.6825 Remote Similarity NPD7251 Discontinued
0.6825 Remote Similarity NPD7240 Approved
0.6824 Remote Similarity NPD2799 Discontinued
0.6813 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6813 Remote Similarity NPD17 Approved
0.679 Remote Similarity NPD3972 Approved
0.6786 Remote Similarity NPD4307 Phase 2
0.6784 Remote Similarity NPD1551 Phase 2
0.6784 Remote Similarity NPD6099 Approved
0.6784 Remote Similarity NPD6100 Approved
0.6772 Remote Similarity NPD6797 Phase 2
0.6768 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6766 Remote Similarity NPD3268 Approved
0.6757 Remote Similarity NPD6808 Phase 2
0.6755 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6753 Remote Similarity NPD8361 Approved
0.6753 Remote Similarity NPD8360 Approved
0.674 Remote Similarity NPD2801 Approved
0.6737 Remote Similarity NPD7685 Pre-registration
0.6736 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6734 Remote Similarity NPD8285 Discontinued
0.6733 Remote Similarity NPD7871 Phase 2
0.6733 Remote Similarity NPD7870 Phase 2
0.6732 Remote Similarity NPD7874 Approved
0.6732 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4110 Phase 3
0.6724 Remote Similarity NPD8166 Discontinued
0.6724 Remote Similarity NPD4109 Clinical (unspecified phase)
0.672 Remote Similarity NPD7074 Phase 3
0.6717 Remote Similarity NPD8485 Approved
0.6717 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6705 Remote Similarity NPD2897 Discontinued
0.6705 Remote Similarity NPD1549 Phase 2
0.6687 Remote Similarity NPD1608 Approved
0.6686 Remote Similarity NPD2354 Approved
0.6686 Remote Similarity NPD4060 Phase 1
0.6686 Remote Similarity NPD2935 Discontinued
0.6686 Remote Similarity NPD2979 Phase 3
0.6684 Remote Similarity NPD2403 Approved
0.6683 Remote Similarity NPD7696 Phase 3
0.6683 Remote Similarity NPD7698 Approved
0.6683 Remote Similarity NPD7697 Approved
0.6683 Remote Similarity NPD7680 Approved
0.6667 Remote Similarity NPD2532 Approved
0.6667 Remote Similarity NPD2533 Approved
0.6667 Remote Similarity NPD2534 Approved
0.6667 Remote Similarity NPD7057 Phase 3
0.6667 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD7058 Phase 2
0.6667 Remote Similarity NPD2313 Discontinued
0.6667 Remote Similarity NPD7054 Approved
0.6651 Remote Similarity NPD7907 Approved
0.6648 Remote Similarity NPD1465 Phase 2
0.6647 Remote Similarity NPD6002 Phase 3
0.6647 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6004 Phase 3
0.6647 Remote Similarity NPD6005 Phase 3
0.6647 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6647 Remote Similarity NPD2344 Approved
0.6647 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1933 Approved
0.6647 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5585 Approved
0.6632 Remote Similarity NPD7472 Approved
0.663 Remote Similarity NPD6386 Approved
0.663 Remote Similarity NPD6385 Approved
0.6629 Remote Similarity NPD5049 Phase 3
0.6629 Remote Similarity NPD1512 Approved
0.6628 Remote Similarity NPD4308 Phase 3
0.6628 Remote Similarity NPD7033 Discontinued
0.6626 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6617 Remote Similarity NPD6778 Approved
0.6617 Remote Similarity NPD6780 Approved
0.6617 Remote Similarity NPD6776 Approved
0.6617 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6617 Remote Similarity NPD6782 Approved
0.6617 Remote Similarity NPD6781 Approved
0.6617 Remote Similarity NPD6777 Approved

Structure

External Identifiers

PubChem CID   10579736
ChEMBL   CHEMBL506073
ZINC  

Physicochemical Properties

Molecular Weight:  620.23
ALogP:  -0.0985
MLogP:  3.99
XLogP:  6.992
# Rotatable Bonds:  16
Polar Surface Area:  140.71
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  45

Download Data

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Biological Activities  
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