Natural Product: NPC36321

Natural Product ID:  NPC36321
Common Name:   n.a.
IUPAC Name:  
Synonyms:   GR-133686
Molecular Formula:   C30H40O5
Standard InCHIKey:  UAKRLLAUOQEYFN-PQNCNOJFSA-N
Standard InCHI:  InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
Canonical SMILES:  CC(=CC(=O)C[C@H]1C(=O)O[C@@H]2[C@@H]1[C@]1(C)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@]4(C)C(=O)O3)[C@]1(C2)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
NPO1859 Lantana camara Species Verbenaceae Eukaryota Leaves PMID[9834145]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT670 Individual Protein Thrombin Homo sapiens IC50 = 50 nM 7562925
NPT670 Individual Protein Thrombin Homo sapiens IC50 = 4 nM 24571273
NPT1569 Individual Protein Chymotrypsin C Homo sapiens IC50 = 70 nM 24571273
NPT606 Individual Protein Trypsin I Homo sapiens IC50 = 70 nM 24571273
NPT279 Individual Protein Leukocyte elastase Homo sapiens IC50 > 10000 nM 24571273
NPT2533 Individual Protein Coagulation factor X Homo sapiens IC50 > 20000 nM 24571273

  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 NPC36321 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
0.93 High Similarity NPC220974
0.8774 High Similarity NPC52634
0.8687 High Similarity NPC23680
0.8687 High Similarity NPC292133
0.8632 High Similarity NPC28227
0.86 High Similarity NPC176845
0.85 High Similarity NPC226986
0.8447 Intermediate Similarity NPC140723
0.8421 Intermediate Similarity NPC195640
0.8416 Intermediate Similarity NPC271387
0.8416 Intermediate Similarity NPC153792
0.8365 Intermediate Similarity NPC228669
0.8365 Intermediate Similarity NPC189616
0.8365 Intermediate Similarity NPC164835
0.8351 Intermediate Similarity NPC474679
0.8333 Intermediate Similarity NPC475392
0.8333 Intermediate Similarity NPC475385
0.8333 Intermediate Similarity NPC475202
0.8316 Intermediate Similarity NPC323765
0.8316 Intermediate Similarity NPC470223
0.83 Intermediate Similarity NPC274417
0.83 Intermediate Similarity NPC469599
0.8283 Intermediate Similarity NPC79117
0.8283 Intermediate Similarity NPC470224
0.8235 Intermediate Similarity NPC252295
0.8224 Intermediate Similarity NPC474901
0.8224 Intermediate Similarity NPC475941
0.8218 Intermediate Similarity NPC95565
0.8218 Intermediate Similarity NPC322063
0.8211 Intermediate Similarity NPC100391
0.82 Intermediate Similarity NPC269729
0.82 Intermediate Similarity NPC159410
0.82 Intermediate Similarity NPC473280
0.82 Intermediate Similarity NPC471078
0.82 Intermediate Similarity NPC473435
0.82 Intermediate Similarity NPC473431
0.8182 Intermediate Similarity NPC218301
0.8173 Intermediate Similarity NPC22388
0.8137 Intermediate Similarity NPC475894
0.8119 Intermediate Similarity NPC470016
0.8119 Intermediate Similarity NPC317586
0.8108 Intermediate Similarity NPC266728
0.8108 Intermediate Similarity NPC49492
0.81 Intermediate Similarity NPC470376
0.81 Intermediate Similarity NPC141497
0.81 Intermediate Similarity NPC107674
0.81 Intermediate Similarity NPC470375
0.81 Intermediate Similarity NPC170220
0.8095 Intermediate Similarity NPC236390
0.8081 Intermediate Similarity NPC474842
0.8081 Intermediate Similarity NPC471896
0.8081 Intermediate Similarity NPC475965
0.8077 Intermediate Similarity NPC473514
0.8073 Intermediate Similarity NPC43775
0.8073 Intermediate Similarity NPC470960
0.8061 Intermediate Similarity NPC80335
0.8041 Intermediate Similarity NPC471042
0.8039 Intermediate Similarity NPC106425
0.8039 Intermediate Similarity NPC122324
0.8039 Intermediate Similarity NPC151725
0.8039 Intermediate Similarity NPC307164
0.8039 Intermediate Similarity NPC111684
0.8039 Intermediate Similarity NPC58052
0.8037 Intermediate Similarity NPC44063
0.802 Intermediate Similarity NPC56525
0.802 Intermediate Similarity NPC166906
0.802 Intermediate Similarity NPC294266
0.8019 Intermediate Similarity NPC96268
0.8019 Intermediate Similarity NPC472228
0.8019 Intermediate Similarity NPC472227
0.8019 Intermediate Similarity NPC471293
0.8019 Intermediate Similarity NPC255309
0.8 Intermediate Similarity NPC271266
0.8 Intermediate Similarity NPC204450
0.8 Intermediate Similarity NPC86266
0.8 Intermediate Similarity NPC136289
0.8 Intermediate Similarity NPC71348
0.8 Intermediate Similarity NPC470230
0.8 Intermediate Similarity NPC212301
0.8 Intermediate Similarity NPC110657
0.8 Intermediate Similarity NPC297265
0.8 Intermediate Similarity NPC308351
0.8 Intermediate Similarity NPC475970
0.8 Intermediate Similarity NPC154101
0.8 Intermediate Similarity NPC195290
0.7982 Intermediate Similarity NPC197428
0.7981 Intermediate Similarity NPC470906
0.7981 Intermediate Similarity NPC476274
0.798 Intermediate Similarity NPC474570
0.798 Intermediate Similarity NPC305039
0.798 Intermediate Similarity NPC473039
0.798 Intermediate Similarity NPC477943
0.7963 Intermediate Similarity NPC469844
0.7961 Intermediate Similarity NPC216904
0.7959 Intermediate Similarity NPC167877
0.7949 Intermediate Similarity NPC47113
0.7949 Intermediate Similarity NPC174367
0.7944 Intermediate Similarity NPC470267
0.7944 Intermediate Similarity NPC96377
0.7944 Intermediate Similarity NPC278628
0.7944 Intermediate Similarity NPC475571
0.7944 Intermediate Similarity NPC231530
0.7941 Intermediate Similarity NPC184848
0.7941 Intermediate Similarity NPC473648
0.7941 Intermediate Similarity NPC69548
0.7941 Intermediate Similarity NPC255809
0.7928 Intermediate Similarity NPC962
0.7928 Intermediate Similarity NPC250109
0.7925 Intermediate Similarity NPC470310
0.7925 Intermediate Similarity NPC159442
0.7925 Intermediate Similarity NPC312900
0.7921 Intermediate Similarity NPC474185
0.7921 Intermediate Similarity NPC25750
0.7913 Intermediate Similarity NPC470921
0.7905 Intermediate Similarity NPC224720
0.7905 Intermediate Similarity NPC476240
0.7905 Intermediate Similarity NPC476223
0.7905 Intermediate Similarity NPC474327
0.7905 Intermediate Similarity NPC81530
0.79 Intermediate Similarity NPC175628
0.79 Intermediate Similarity NPC152467
0.79 Intermediate Similarity NPC111585
0.79 Intermediate Similarity NPC161638
0.79 Intermediate Similarity NPC328141
0.79 Intermediate Similarity NPC148414
0.7895 Intermediate Similarity NPC475665
0.7895 Intermediate Similarity NPC475520
0.789 Intermediate Similarity NPC2766
0.7885 Intermediate Similarity NPC275439
0.7885 Intermediate Similarity NPC112753
0.7885 Intermediate Similarity NPC114274
0.7885 Intermediate Similarity NPC477854
0.7885 Intermediate Similarity NPC477813
0.7879 Intermediate Similarity NPC328539
0.7879 Intermediate Similarity NPC474845
0.787 Intermediate Similarity NPC473037
0.7864 Intermediate Similarity NPC328162
0.7864 Intermediate Similarity NPC13949
0.7864 Intermediate Similarity NPC471153
0.7864 Intermediate Similarity NPC125622
0.7864 Intermediate Similarity NPC173272
0.7864 Intermediate Similarity NPC305483
0.7864 Intermediate Similarity NPC327788
0.7864 Intermediate Similarity NPC96859
0.7864 Intermediate Similarity NPC192428
0.7857 Intermediate Similarity NPC264127
0.785 Intermediate Similarity NPC28656
0.785 Intermediate Similarity NPC235889
0.785 Intermediate Similarity NPC29705
0.7843 Intermediate Similarity NPC472223
0.7843 Intermediate Similarity NPC49670
0.7843 Intermediate Similarity NPC472224
0.7843 Intermediate Similarity NPC470697
0.7843 Intermediate Similarity NPC111015
0.7838 Intermediate Similarity NPC207251
0.7835 Intermediate Similarity NPC469407
0.783 Intermediate Similarity NPC477915
0.783 Intermediate Similarity NPC271980
0.783 Intermediate Similarity NPC56498
0.783 Intermediate Similarity NPC193934
0.7826 Intermediate Similarity NPC109973
0.7822 Intermediate Similarity NPC26888
0.7822 Intermediate Similarity NPC23434
0.7822 Intermediate Similarity NPC168027
0.7822 Intermediate Similarity NPC250753
0.7822 Intermediate Similarity NPC185936
0.7822 Intermediate Similarity NPC150383
0.7818 Intermediate Similarity NPC470496
0.7818 Intermediate Similarity NPC179642
0.7818 Intermediate Similarity NPC239097
0.7812 Intermediate Similarity NPC240302
0.781 Intermediate Similarity NPC218383
0.781 Intermediate Similarity NPC110149
0.781 Intermediate Similarity NPC88198
0.781 Intermediate Similarity NPC51370
0.781 Intermediate Similarity NPC316964
0.781 Intermediate Similarity NPC35751
0.781 Intermediate Similarity NPC205899
0.781 Intermediate Similarity NPC477521
0.781 Intermediate Similarity NPC117685
0.781 Intermediate Similarity NPC476303
0.7807 Intermediate Similarity NPC329736
0.7807 Intermediate Similarity NPC473720
0.7807 Intermediate Similarity NPC470420
0.78 Intermediate Similarity NPC474704
0.78 Intermediate Similarity NPC275740
0.78 Intermediate Similarity NPC86319
0.78 Intermediate Similarity NPC471043
0.78 Intermediate Similarity NPC475921
0.78 Intermediate Similarity NPC474889
0.7798 Intermediate Similarity NPC19412
0.7798 Intermediate Similarity NPC94529
0.7798 Intermediate Similarity NPC470269
0.7788 Intermediate Similarity NPC469794
0.7788 Intermediate Similarity NPC151488
0.7788 Intermediate Similarity NPC187159
0.7788 Intermediate Similarity NPC89225
0.7788 Intermediate Similarity NPC270958
0.7788 Intermediate Similarity NPC26413
0.7788 Intermediate Similarity NPC469810

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC36321 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
0.8673 High Similarity NPD6356 Clinical (unspecified phase)
0.8641 High Similarity NPD6008 Approved
0.8438 Intermediate Similarity NPD6903 Approved
0.8421 Intermediate Similarity NPD7146 Approved
0.8421 Intermediate Similarity NPD7334 Approved
0.8421 Intermediate Similarity NPD6684 Approved
0.8421 Intermediate Similarity NPD5330 Approved
0.8421 Intermediate Similarity NPD6409 Approved
0.8421 Intermediate Similarity NPD7521 Approved
0.8396 Intermediate Similarity NPD6372 Approved
0.8396 Intermediate Similarity NPD6373 Approved
0.8302 Intermediate Similarity NPD7320 Approved
0.8286 Intermediate Similarity NPD6675 Approved
0.8286 Intermediate Similarity NPD7128 Approved
0.8286 Intermediate Similarity NPD6402 Approved
0.8286 Intermediate Similarity NPD5739 Approved
0.8247 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8241 Intermediate Similarity NPD6649 Approved
0.8241 Intermediate Similarity NPD6650 Approved
0.82 Intermediate Similarity NPD6001 Approved
0.8131 Intermediate Similarity NPD6899 Approved
0.8131 Intermediate Similarity NPD6881 Approved
0.81 Intermediate Similarity NPD6399 Phase 3
0.8061 Intermediate Similarity NPD6672 Approved
0.8061 Intermediate Similarity NPD5737 Approved
0.8037 Intermediate Similarity NPD5697 Approved
0.8037 Intermediate Similarity NPD5701 Approved
0.802 Intermediate Similarity NPD7900 Approved
0.802 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD7290 Approved
0.7982 Intermediate Similarity NPD7102 Approved
0.7982 Intermediate Similarity NPD6883 Approved
0.798 Intermediate Similarity NPD6673 Approved
0.798 Intermediate Similarity NPD6080 Approved
0.798 Intermediate Similarity NPD6904 Approved
0.798 Intermediate Similarity NPD5328 Approved
0.7963 Intermediate Similarity NPD6011 Approved
0.7909 Intermediate Similarity NPD6617 Approved
0.7909 Intermediate Similarity NPD6869 Approved
0.7909 Intermediate Similarity NPD6847 Approved
0.7909 Intermediate Similarity NPD8130 Phase 1
0.7909 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD5207 Approved
0.789 Intermediate Similarity NPD6013 Approved
0.789 Intermediate Similarity NPD6012 Approved
0.789 Intermediate Similarity NPD6014 Approved
0.7864 Intermediate Similarity NPD4697 Phase 3
0.7838 Intermediate Similarity NPD8297 Approved
0.7838 Intermediate Similarity NPD6882 Approved
0.7822 Intermediate Similarity NPD6079 Approved
0.7788 Intermediate Similarity NPD7902 Approved
0.7788 Intermediate Similarity NPD4755 Approved
0.7788 Intermediate Similarity NPD6084 Phase 2
0.7788 Intermediate Similarity NPD6083 Phase 2
0.7714 Intermediate Similarity NPD5696 Approved
0.7712 Intermediate Similarity NPD7492 Approved
0.77 Intermediate Similarity NPD5208 Approved
0.7677 Intermediate Similarity NPD3618 Phase 1
0.7677 Intermediate Similarity NPD6098 Approved
0.7672 Intermediate Similarity NPD6054 Approved
0.7672 Intermediate Similarity NPD6059 Approved
0.767 Intermediate Similarity NPD7748 Approved
0.7647 Intermediate Similarity NPD6616 Approved
0.7647 Intermediate Similarity NPD5693 Phase 1
0.7647 Intermediate Similarity NPD6050 Approved
0.7642 Intermediate Similarity NPD4700 Approved
0.7642 Intermediate Similarity NPD5286 Approved
0.7642 Intermediate Similarity NPD4696 Approved
0.7642 Intermediate Similarity NPD5285 Approved
0.7607 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3573 Approved
0.7596 Intermediate Similarity NPD5695 Phase 3
0.7593 Intermediate Similarity NPD6052 Approved
0.7583 Intermediate Similarity NPD7078 Approved
0.7583 Intermediate Similarity NPD8293 Discontinued
0.7573 Intermediate Similarity NPD4202 Approved
0.757 Intermediate Similarity NPD5223 Approved
0.7549 Intermediate Similarity NPD5692 Phase 3
0.7542 Intermediate Similarity NPD6370 Approved
0.7524 Intermediate Similarity NPD5221 Approved
0.7524 Intermediate Similarity NPD5222 Approved
0.7524 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD6319 Approved
0.7521 Intermediate Similarity NPD7736 Approved
0.75 Intermediate Similarity NPD5225 Approved
0.75 Intermediate Similarity NPD5211 Phase 2
0.75 Intermediate Similarity NPD4633 Approved
0.75 Intermediate Similarity NPD5226 Approved
0.75 Intermediate Similarity NPD6335 Approved
0.75 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5224 Approved
0.7478 Intermediate Similarity NPD6274 Approved
0.7476 Intermediate Similarity NPD7515 Phase 2
0.7476 Intermediate Similarity NPD5694 Approved
0.7476 Intermediate Similarity NPD8035 Phase 2
0.7476 Intermediate Similarity NPD8034 Phase 2
0.7475 Intermediate Similarity NPD3665 Phase 1
0.7475 Intermediate Similarity NPD3133 Approved
0.7475 Intermediate Similarity NPD3666 Approved
0.7458 Intermediate Similarity NPD6016 Approved
0.7458 Intermediate Similarity NPD6015 Approved
0.7456 Intermediate Similarity NPD4632 Approved
0.7453 Intermediate Similarity NPD5173 Approved
0.7436 Intermediate Similarity NPD7100 Approved
0.7436 Intermediate Similarity NPD7101 Approved
0.7431 Intermediate Similarity NPD4754 Approved
0.7431 Intermediate Similarity NPD5175 Approved
0.7431 Intermediate Similarity NPD5174 Approved
0.7414 Intermediate Similarity NPD7115 Discovery
0.7414 Intermediate Similarity NPD6317 Approved
0.7395 Intermediate Similarity NPD5988 Approved
0.7383 Intermediate Similarity NPD7638 Approved
0.7364 Intermediate Similarity NPD5141 Approved
0.735 Intermediate Similarity NPD6314 Approved
0.735 Intermediate Similarity NPD6313 Approved
0.7345 Intermediate Similarity NPD4634 Approved
0.7328 Intermediate Similarity NPD6868 Approved
0.7315 Intermediate Similarity NPD7640 Approved
0.7315 Intermediate Similarity NPD7639 Approved
0.7311 Intermediate Similarity NPD6908 Approved
0.7311 Intermediate Similarity NPD6909 Approved
0.7308 Intermediate Similarity NPD5284 Approved
0.7308 Intermediate Similarity NPD5281 Approved
0.73 Intermediate Similarity NPD4786 Approved
0.7297 Intermediate Similarity NPD4768 Approved
0.7297 Intermediate Similarity NPD4767 Approved
0.7282 Intermediate Similarity NPD4753 Phase 2
0.7273 Intermediate Similarity NPD4221 Approved
0.7273 Intermediate Similarity NPD4223 Phase 3
0.7265 Intermediate Similarity NPD6009 Approved
0.7236 Intermediate Similarity NPD6033 Approved
0.7228 Intermediate Similarity NPD5329 Approved
0.7228 Intermediate Similarity NPD1694 Approved
0.719 Intermediate Similarity NPD7604 Phase 2
0.7168 Intermediate Similarity NPD4729 Approved
0.7168 Intermediate Similarity NPD5128 Approved
0.7168 Intermediate Similarity NPD4730 Approved
0.7167 Intermediate Similarity NPD5983 Phase 2
0.7129 Intermediate Similarity NPD3668 Phase 3
0.7129 Intermediate Similarity NPD4197 Approved
0.7115 Intermediate Similarity NPD6051 Approved
0.7103 Intermediate Similarity NPD4629 Approved
0.7103 Intermediate Similarity NPD5210 Approved
0.7103 Intermediate Similarity NPD5654 Approved
0.71 Intermediate Similarity NPD3667 Approved
0.708 Intermediate Similarity NPD6614 Approved
0.7073 Intermediate Similarity NPD6336 Discontinued
0.7059 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD5247 Approved
0.7043 Intermediate Similarity NPD5248 Approved
0.7043 Intermediate Similarity NPD5135 Approved
0.7043 Intermediate Similarity NPD5169 Approved
0.7043 Intermediate Similarity NPD5249 Phase 3
0.7043 Intermediate Similarity NPD5250 Approved
0.7043 Intermediate Similarity NPD5251 Approved
0.7043 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD7319 Approved
0.699 Remote Similarity NPD4138 Approved
0.699 Remote Similarity NPD4693 Phase 3
0.699 Remote Similarity NPD4688 Approved
0.699 Remote Similarity NPD4689 Approved
0.699 Remote Similarity NPD4690 Approved
0.699 Remote Similarity NPD5205 Approved
0.6983 Remote Similarity NPD5216 Approved
0.6983 Remote Similarity NPD5217 Approved
0.6983 Remote Similarity NPD5127 Approved
0.6983 Remote Similarity NPD5215 Approved
0.6981 Remote Similarity NPD6411 Approved
0.6972 Remote Similarity NPD5959 Approved
0.6935 Remote Similarity NPD7507 Approved
0.6931 Remote Similarity NPD4752 Clinical (unspecified phase)
0.693 Remote Similarity NPD6412 Phase 2
0.6909 Remote Similarity NPD4225 Approved
0.687 Remote Similarity NPD5168 Approved
0.6842 Remote Similarity NPD4747 Approved
0.6827 Remote Similarity NPD5280 Approved
0.6827 Remote Similarity NPD5279 Phase 3
0.6827 Remote Similarity NPD5690 Phase 2
0.6827 Remote Similarity NPD5786 Approved
0.6827 Remote Similarity NPD4694 Approved
0.6807 Remote Similarity NPD5167 Approved
0.6792 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6792 Remote Similarity NPD6101 Approved
0.678 Remote Similarity NPD6053 Discontinued
0.6774 Remote Similarity NPD8328 Phase 3
0.6774 Remote Similarity NPD6067 Discontinued
0.6771 Remote Similarity NPD5777 Approved
0.6742 Remote Similarity NPD6333 Approved
0.6742 Remote Similarity NPD6334 Approved
0.6737 Remote Similarity NPD4137 Phase 3
0.6729 Remote Similarity NPD5785 Approved
0.6726 Remote Similarity NPD7632 Discontinued
0.6723 Remote Similarity NPD7094 Approved
0.6723 Remote Similarity NPD6858 Approved
0.6699 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5369 Approved
0.6667 Remote Similarity NPD4691 Approved
0.6638 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6636 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6634 Remote Similarity NPD4195 Approved

Structure

External Identifiers

PubChem CID   10696098
ChEMBL   CHEMBL457155
ZINC  

Physicochemical Properties

Molecular Weight:  480.29
ALogP:  2.0749
MLogP:  4.21
XLogP:  5.523
# Rotatable Bonds:  9
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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