Natural Product: NPC477099

Natural Product ID:  NPC477099
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H42O9
Standard InCHIKey:  FYGIUALPJJOYCO-DQOMFPQGSA-N
Standard InCHI:  InChI=1S/C34H42O9/c1-9-17(2)30(38)41-27-24-23(32(24,7)8)26(40-21(6)35)20(5)28(37)33-16-19(4)29(34(33,43-33)15-18(3)25(27)36)42-31(39)22-13-11-10-12-14-22/h9-15,19-20,23-27,29,36H,16H2,1-8H3/b17-9+,18-15+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1
Canonical SMILES:  C/C=C(/C(=O)O[C@@H]1[C@H](O)/C(=C/[C@]23O[C@]3(C(=O)[C@@H]([C@H]([C@@H]3[C@H]1C3(C)C)OC(=O)C)C)C[C@@H]([C@@H]2OC(=O)c1ccccc1)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
NPO12595 Euphorbia royleana Species Euphorbiaceae Eukaryota aerial parts Yuanjiang, Yunnan Province, China 2008-APR PMID[19438253]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 5 ug/ml 19438253
NPT2 Others Unspecified Inhibition = 5.4 % 19438253
NPT2 Others Unspecified Inhibition = 0 % 19438253
NPT2 Others Unspecified Inhibition = 3.2 % 19438253

  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 NPC477099 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
1.0 High Similarity NPC477097
1.0 High Similarity NPC477101
0.979 High Similarity NPC477098
0.979 High Similarity NPC477100
0.958 High Similarity NPC232583
0.958 High Similarity NPC25484
0.9571 High Similarity NPC45307
0.9571 High Similarity NPC477094
0.9571 High Similarity NPC477096
0.9441 High Similarity NPC205389
0.9429 High Similarity NPC474303
0.9429 High Similarity NPC475413
0.9429 High Similarity NPC473497
0.9371 High Similarity NPC477095
0.9286 High Similarity NPC325805
0.9286 High Similarity NPC272523
0.9236 High Similarity NPC170668
0.9214 High Similarity NPC86772
0.9161 High Similarity NPC82467
0.9143 High Similarity NPC194769
0.9143 High Similarity NPC285221
0.9071 High Similarity NPC472247
0.9071 High Similarity NPC232888
0.9071 High Similarity NPC265459
0.9071 High Similarity NPC290833
0.9071 High Similarity NPC475262
0.9071 High Similarity NPC79699
0.9071 High Similarity NPC270364
0.9071 High Similarity NPC477367
0.9021 High Similarity NPC242355
0.9021 High Similarity NPC473654
0.9 High Similarity NPC472250
0.9 High Similarity NPC477359
0.9 High Similarity NPC477368
0.9 High Similarity NPC28836
0.9 High Similarity NPC311492
0.8951 High Similarity NPC475660
0.8944 High Similarity NPC27721
0.8929 High Similarity NPC472248
0.8929 High Similarity NPC477364
0.8881 High Similarity NPC473301
0.8881 High Similarity NPC276652
0.8873 High Similarity NPC202729
0.8857 High Similarity NPC233860
0.8857 High Similarity NPC233692
0.8857 High Similarity NPC477360
0.8857 High Similarity NPC239358
0.8803 High Similarity NPC200154
0.8767 High Similarity NPC153214
0.8741 High Similarity NPC477358
0.8714 High Similarity NPC475452
0.8714 High Similarity NPC3450
0.8714 High Similarity NPC122504
0.8714 High Similarity NPC42234
0.8714 High Similarity NPC272946
0.8714 High Similarity NPC475671
0.8667 High Similarity NPC125033
0.8649 High Similarity NPC134131
0.8649 High Similarity NPC25043
0.8643 High Similarity NPC37968
0.863 High Similarity NPC187566
0.8601 High Similarity NPC153617
0.8571 High Similarity NPC477370
0.8562 High Similarity NPC251294
0.8506 High Similarity NPC11410
0.85 High Similarity NPC477357
0.85 High Similarity NPC477365
0.8483 Intermediate Similarity NPC52523
0.8483 Intermediate Similarity NPC217673
0.8471 Intermediate Similarity NPC55744
0.8451 Intermediate Similarity NPC475508
0.8442 Intermediate Similarity NPC251139
0.8429 Intermediate Similarity NPC477366
0.8429 Intermediate Similarity NPC477363
0.8387 Intermediate Similarity NPC70344
0.8323 Intermediate Similarity NPC473670
0.8323 Intermediate Similarity NPC21410
0.8312 Intermediate Similarity NPC469648
0.8312 Intermediate Similarity NPC469647
0.8312 Intermediate Similarity NPC283875
0.8312 Intermediate Similarity NPC22571
0.8312 Intermediate Similarity NPC138641
0.831 Intermediate Similarity NPC472707
0.8288 Intermediate Similarity NPC279637
0.8288 Intermediate Similarity NPC149401
0.8286 Intermediate Similarity NPC8990
0.8286 Intermediate Similarity NPC477362
0.8267 Intermediate Similarity NPC95449
0.8247 Intermediate Similarity NPC471103
0.8247 Intermediate Similarity NPC51602
0.8247 Intermediate Similarity NPC472398
0.8239 Intermediate Similarity NPC472706
0.8227 Intermediate Similarity NPC477369
0.8219 Intermediate Similarity NPC324898
0.8219 Intermediate Similarity NPC298547
0.8219 Intermediate Similarity NPC134937
0.8205 Intermediate Similarity NPC469456
0.8194 Intermediate Similarity NPC233581
0.8194 Intermediate Similarity NPC145649
0.8182 Intermediate Similarity NPC7095
0.8158 Intermediate Similarity NPC471162
0.8158 Intermediate Similarity NPC127857
0.8153 Intermediate Similarity NPC106895
0.8121 Intermediate Similarity NPC53361
0.8121 Intermediate Similarity NPC121268
0.8117 Intermediate Similarity NPC250046
0.8117 Intermediate Similarity NPC60509
0.8117 Intermediate Similarity NPC81698
0.8105 Intermediate Similarity NPC312393
0.8098 Intermediate Similarity NPC40138
0.8089 Intermediate Similarity NPC282239
0.8089 Intermediate Similarity NPC259144
0.8089 Intermediate Similarity NPC114357
0.8089 Intermediate Similarity NPC155329
0.8086 Intermediate Similarity NPC325732
0.8086 Intermediate Similarity NPC324769
0.8079 Intermediate Similarity NPC182869
0.8079 Intermediate Similarity NPC192658
0.8079 Intermediate Similarity NPC475135
0.8067 Intermediate Similarity NPC162613
0.8067 Intermediate Similarity NPC87934
0.8065 Intermediate Similarity NPC112216
0.8065 Intermediate Similarity NPC161239
0.8065 Intermediate Similarity NPC198455
0.8065 Intermediate Similarity NPC165260
0.8063 Intermediate Similarity NPC329997
0.8054 Intermediate Similarity NPC327511
0.8054 Intermediate Similarity NPC205305
0.8052 Intermediate Similarity NPC132652
0.8038 Intermediate Similarity NPC217091
0.8028 Intermediate Similarity NPC472704
0.8026 Intermediate Similarity NPC477894
0.8026 Intermediate Similarity NPC191387
0.8026 Intermediate Similarity NPC131966
0.8025 Intermediate Similarity NPC134685
0.8025 Intermediate Similarity NPC242262
0.8025 Intermediate Similarity NPC158333
0.8025 Intermediate Similarity NPC249471
0.8025 Intermediate Similarity NPC11588
0.8025 Intermediate Similarity NPC472030
0.8025 Intermediate Similarity NPC229545
0.8025 Intermediate Similarity NPC472005
0.8025 Intermediate Similarity NPC265395
0.8025 Intermediate Similarity NPC473414
0.8025 Intermediate Similarity NPC472022
0.8025 Intermediate Similarity NPC237549
0.8025 Intermediate Similarity NPC257213
0.8025 Intermediate Similarity NPC256142
0.8025 Intermediate Similarity NPC1173
0.8025 Intermediate Similarity NPC304876
0.8025 Intermediate Similarity NPC219419
0.8025 Intermediate Similarity NPC248265
0.8013 Intermediate Similarity NPC161955
0.8013 Intermediate Similarity NPC101043
0.8013 Intermediate Similarity NPC306799
0.8012 Intermediate Similarity NPC477188
0.8012 Intermediate Similarity NPC43304
0.8012 Intermediate Similarity NPC477190
0.8 Intermediate Similarity NPC9905
0.7987 Intermediate Similarity NPC477737
0.7987 Intermediate Similarity NPC472393
0.7975 Intermediate Similarity NPC472549
0.7975 Intermediate Similarity NPC228204
0.7975 Intermediate Similarity NPC473632
0.7975 Intermediate Similarity NPC132599
0.7975 Intermediate Similarity NPC473611
0.7975 Intermediate Similarity NPC26033
0.7975 Intermediate Similarity NPC112523
0.7975 Intermediate Similarity NPC469730
0.7975 Intermediate Similarity NPC477491
0.7975 Intermediate Similarity NPC114410
0.7974 Intermediate Similarity NPC34943
0.7961 Intermediate Similarity NPC183540
0.7961 Intermediate Similarity NPC63737
0.7958 Intermediate Similarity NPC472703
0.7947 Intermediate Similarity NPC473440
0.7937 Intermediate Similarity NPC471102
0.7935 Intermediate Similarity NPC327031
0.7927 Intermediate Similarity NPC161151
0.7925 Intermediate Similarity NPC229354
0.7922 Intermediate Similarity NPC471107
0.7922 Intermediate Similarity NPC471100
0.7911 Intermediate Similarity NPC77719
0.7898 Intermediate Similarity NPC470153
0.7898 Intermediate Similarity NPC197037
0.7881 Intermediate Similarity NPC475195
0.7875 Intermediate Similarity NPC469771
0.7871 Intermediate Similarity NPC478263
0.7871 Intermediate Similarity NPC20255
0.7871 Intermediate Similarity NPC240115
0.7866 Intermediate Similarity NPC61891
0.7853 Intermediate Similarity NPC322420
0.7848 Intermediate Similarity NPC477905
0.7848 Intermediate Similarity NPC472548
0.7843 Intermediate Similarity NPC472546
0.7834 Intermediate Similarity NPC470245
0.7834 Intermediate Similarity NPC254558
0.7834 Intermediate Similarity NPC473214
0.7834 Intermediate Similarity NPC91730
0.7831 Intermediate Similarity NPC477488

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477099 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
0.8 Intermediate Similarity NPD7799 Discontinued
0.7922 Intermediate Similarity NPD7236 Approved
0.7905 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD7239 Suspended
0.75 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7685 Pre-registration
0.7349 Intermediate Similarity NPD7058 Phase 2
0.7349 Intermediate Similarity NPD7057 Phase 3
0.7299 Intermediate Similarity NPD8368 Discontinued
0.7273 Intermediate Similarity NPD8407 Phase 2
0.7203 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD8434 Phase 2
0.7152 Intermediate Similarity NPD6085 Phase 2
0.7152 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD4628 Phase 3
0.7095 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD2629 Approved
0.7017 Intermediate Similarity NPD8361 Approved
0.7017 Intermediate Similarity NPD8360 Approved
0.7017 Intermediate Similarity NPD8435 Approved
0.7 Intermediate Similarity NPD6685 Approved
0.7 Intermediate Similarity NPD7075 Discontinued
0.6946 Remote Similarity NPD6599 Discontinued
0.6928 Remote Similarity NPD5647 Approved
0.6923 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7961 Discontinued
0.6923 Remote Similarity NPD5761 Phase 2
0.6923 Remote Similarity NPD5760 Phase 2
0.6923 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6906 Remote Similarity NPD8150 Discontinued
0.6903 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7741 Discontinued
0.6882 Remote Similarity NPD8485 Approved
0.6871 Remote Similarity NPD6190 Approved
0.6864 Remote Similarity NPD6801 Discontinued
0.6853 Remote Similarity NPD2067 Discontinued
0.6848 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6004 Phase 3
0.6832 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6005 Phase 3
0.6832 Remote Similarity NPD6002 Phase 3
0.6816 Remote Similarity NPD6765 Approved
0.6816 Remote Similarity NPD6764 Approved
0.681 Remote Similarity NPD2575 Approved
0.6803 Remote Similarity NPD4198 Discontinued
0.6792 Remote Similarity NPD6653 Approved
0.6788 Remote Similarity NPD6799 Approved
0.6786 Remote Similarity NPD5765 Approved
0.6786 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6784 Remote Similarity NPD5402 Approved
0.6783 Remote Similarity NPD2182 Approved
0.6772 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6766 Remote Similarity NPD5403 Approved
0.6759 Remote Similarity NPD6912 Phase 3
0.6758 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6742 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6647 Phase 2
0.6667 Remote Similarity NPD6785 Approved
0.6667 Remote Similarity NPD7137 Phase 2
0.6667 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6784 Approved
0.6667 Remote Similarity NPD9545 Approved
0.6648 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6647 Remote Similarity NPD4380 Phase 2
0.6647 Remote Similarity NPD5401 Approved
0.6645 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6626 Remote Similarity NPD5763 Approved
0.6626 Remote Similarity NPD5762 Approved
0.6625 Remote Similarity NPD230 Phase 1
0.6625 Remote Similarity NPD6355 Discontinued
0.6621 Remote Similarity NPD6371 Approved
0.6605 Remote Similarity NPD7305 Phase 1
0.659 Remote Similarity NPD3817 Phase 2
0.6573 Remote Similarity NPD5048 Discontinued
0.6552 Remote Similarity NPD3882 Suspended
0.6552 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6541 Remote Similarity NPD3764 Approved
0.6532 Remote Similarity NPD7819 Suspended
0.6514 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6273 Approved
0.6503 Remote Similarity NPD164 Approved
0.6503 Remote Similarity NPD1237 Approved
0.6503 Remote Similarity NPD7033 Discontinued
0.65 Remote Similarity NPD9495 Approved
0.65 Remote Similarity NPD3751 Discontinued
0.6497 Remote Similarity NPD8127 Discontinued
0.6494 Remote Similarity NPD4807 Approved
0.6494 Remote Similarity NPD4806 Approved
0.6482 Remote Similarity NPD8462 Phase 1
0.6478 Remote Similarity NPD7008 Discontinued
0.6471 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5305 Approved
0.6471 Remote Similarity NPD5306 Approved
0.6467 Remote Similarity NPD8313 Approved
0.6467 Remote Similarity NPD8312 Approved
0.6462 Remote Similarity NPD8319 Approved
0.6462 Remote Similarity NPD8320 Phase 1
0.6456 Remote Similarity NPD3664 Approved
0.6456 Remote Similarity NPD3663 Approved
0.6456 Remote Similarity NPD3662 Phase 3
0.6456 Remote Similarity NPD3661 Approved
0.645 Remote Similarity NPD2533 Approved
0.645 Remote Similarity NPD2532 Approved
0.645 Remote Similarity NPD2534 Approved
0.645 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6447 Remote Similarity NPD6319 Approved
0.6433 Remote Similarity NPD6362 Approved
0.6424 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6414 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6413 Remote Similarity NPD7808 Phase 3
0.6413 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6409 Remote Similarity NPD3818 Discontinued
0.6407 Remote Similarity NPD1878 Clinical (unspecified phase)
0.64 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6395 Remote Similarity NPD7458 Discontinued
0.6393 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6166 Phase 2
0.6389 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6287 Discontinued
0.6376 Remote Similarity NPD7094 Approved
0.6376 Remote Similarity NPD6858 Approved
0.6369 Remote Similarity NPD3787 Discontinued
0.6364 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6359 Remote Similarity NPD7251 Discontinued
0.6354 Remote Similarity NPD7473 Discontinued
0.6353 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6351 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6347 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7435 Discontinued
0.6327 Remote Similarity NPD7497 Discontinued
0.6323 Remote Similarity NPD4106 Approved
0.6323 Remote Similarity NPD4135 Approved
0.6323 Remote Similarity NPD4136 Approved
0.6322 Remote Similarity NPD7411 Suspended
0.6321 Remote Similarity NPD7700 Phase 2
0.6321 Remote Similarity NPD7699 Phase 2
0.6319 Remote Similarity NPD4685 Phase 3
0.6319 Remote Similarity NPD4684 Phase 3
0.6319 Remote Similarity NPD4686 Approved
0.6316 Remote Similarity NPD9493 Approved
0.631 Remote Similarity NPD8166 Discontinued
0.6309 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6309 Remote Similarity NPD969 Suspended
0.6304 Remote Similarity NPD6797 Phase 2
0.6303 Remote Similarity NPD2799 Discontinued
0.6301 Remote Similarity NPD3226 Approved
0.6301 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6663 Approved
0.6291 Remote Similarity NPD5951 Approved
0.6287 Remote Similarity NPD970 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1934 Approved
0.6275 Remote Similarity NPD8404 Phase 2
0.6272 Remote Similarity NPD2354 Approved
0.6272 Remote Similarity NPD3887 Approved
0.6258 Remote Similarity NPD5126 Approved
0.6258 Remote Similarity NPD5125 Phase 3
0.625 Remote Similarity NPD2393 Clinical (unspecified phase)
0.625 Remote Similarity NPD7074 Phase 3
0.625 Remote Similarity NPD6535 Approved
0.625 Remote Similarity NPD7115 Discovery
0.625 Remote Similarity NPD2800 Approved
0.625 Remote Similarity NPD7972 Discontinued
0.625 Remote Similarity NPD5204 Approved
0.625 Remote Similarity NPD6534 Approved
0.625 Remote Similarity NPD5736 Approved
0.6243 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6235 Remote Similarity NPD2313 Discontinued
0.6228 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6225 Remote Similarity NPD2652 Approved
0.6225 Remote Similarity NPD2650 Approved
0.6225 Remote Similarity NPD6010 Discontinued
0.6224 Remote Similarity NPD1238 Approved
0.622 Remote Similarity NPD447 Suspended
0.6219 Remote Similarity NPD7874 Approved
0.6219 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6213 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6211 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6211 Remote Similarity NPD6832 Phase 2
0.6209 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6207 Remote Similarity NPD1930 Approved
0.6207 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6207 Remote Similarity NPD1929 Approved
0.6205 Remote Similarity NPD1510 Phase 2
0.62 Remote Similarity NPD8297 Approved
0.6196 Remote Similarity NPD4745 Approved
0.6196 Remote Similarity NPD2566 Approved
0.6196 Remote Similarity NPD2574 Discontinued
0.6196 Remote Similarity NPD3088 Approved
0.6196 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6196 Remote Similarity NPD3616 Approved
0.6196 Remote Similarity NPD4746 Phase 3
0.6196 Remote Similarity NPD6233 Phase 2
0.6196 Remote Similarity NPD3087 Approved
0.6196 Remote Similarity NPD3614 Approved
0.6196 Remote Similarity NPD2571 Approved
0.6196 Remote Similarity NPD3615 Approved
0.6196 Remote Similarity NPD7054 Approved

Structure

External Identifiers

PubChem CID   44179572
ChEMBL   CHEMBL555262
ZINC  

Physicochemical Properties

Molecular Weight:  594.28
ALogP:  1.6911
MLogP:  4.21
XLogP:  5.271
# Rotatable Bonds:  17
Polar Surface Area:  128.73
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  43

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs