Natural Product: NPC120726

Natural Product ID:  NPC120726
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O4
Standard InCHIKey:  AWKFFPXZWYNPMR-ZGRDIGODSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-12(2)15-6-7-18(4)8-9-20(24-18)13(3)10-14(22-20)11-19(5)17(23-19)16(15)21/h13-14,17H,6-11H2,1-5H3/t13-,14-,17+,18-,19+,20+/m1/s1
Canonical SMILES:  CC(=C1CC[C@]2(C)CC[C@@]3(O2)O[C@@H](C[C@]2([C@H](C1=O)O2)C)C[C@H]3C)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
NPO11601 Chandonanthus hirtellus Species Anastrophyllaceae Eukaryota China PMID[24491225]
NPO32786 chandonanthus birmensis Species Anastrophyllaceae Eukaryota China PMID[24491225]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2452 Cell Line NCI-H292 IC50 = 48100 nM 23030848
NPT2 Others Unspecified IC50 > 50000 nM 19093843
NPT306 Cell Line PC-3 Homo sapiens IC50 > 50000 nM 10.6019/CHEMBL1201861
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 17685651
NPT2 Others Unspecified IC50 > 50000 nM 17580847
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 18161942
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM Open TG-GATES in vivo data: Biochemistry

  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 NPC120726 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 NPC32565
0.8929 High Similarity NPC197333
0.8488 Intermediate Similarity NPC471739
0.8415 Intermediate Similarity NPC276647
0.8415 Intermediate Similarity NPC622
0.7978 Intermediate Similarity NPC475902
0.7976 Intermediate Similarity NPC471740
0.7791 Intermediate Similarity NPC286229
0.7778 Intermediate Similarity NPC469628
0.7778 Intermediate Similarity NPC475906
0.7778 Intermediate Similarity NPC469653
0.7778 Intermediate Similarity NPC469631
0.7778 Intermediate Similarity NPC471047
0.7753 Intermediate Similarity NPC469626
0.7753 Intermediate Similarity NPC475491
0.7717 Intermediate Similarity NPC20713
0.7579 Intermediate Similarity NPC476275
0.7473 Intermediate Similarity NPC471738
0.7449 Intermediate Similarity NPC185141
0.7449 Intermediate Similarity NPC110443
0.7449 Intermediate Similarity NPC128733
0.7449 Intermediate Similarity NPC46998
0.7449 Intermediate Similarity NPC133907
0.7419 Intermediate Similarity NPC329857
0.7419 Intermediate Similarity NPC469718
0.7368 Intermediate Similarity NPC469632
0.7368 Intermediate Similarity NPC140543
0.734 Intermediate Similarity NPC469627
0.7317 Intermediate Similarity NPC477448
0.7317 Intermediate Similarity NPC477449
0.7273 Intermediate Similarity NPC264477
0.7273 Intermediate Similarity NPC223904
0.7273 Intermediate Similarity NPC477511
0.7263 Intermediate Similarity NPC165383
0.7245 Intermediate Similarity NPC54843
0.7216 Intermediate Similarity NPC17585
0.7216 Intermediate Similarity NPC477354
0.7191 Intermediate Similarity NPC39411
0.7191 Intermediate Similarity NPC255580
0.7191 Intermediate Similarity NPC141810
0.7188 Intermediate Similarity NPC289004
0.7188 Intermediate Similarity NPC476267
0.7174 Intermediate Similarity NPC104961
0.7174 Intermediate Similarity NPC70422
0.7174 Intermediate Similarity NPC279859
0.7174 Intermediate Similarity NPC38576
0.7174 Intermediate Similarity NPC70555
0.7172 Intermediate Similarity NPC469551
0.7159 Intermediate Similarity NPC469608
0.7159 Intermediate Similarity NPC617
0.7158 Intermediate Similarity NPC123177
0.7158 Intermediate Similarity NPC70595
0.7158 Intermediate Similarity NPC150978
0.7158 Intermediate Similarity NPC74103
0.7128 Intermediate Similarity NPC166919
0.7113 Intermediate Similarity NPC474947
0.71 Intermediate Similarity NPC474339
0.71 Intermediate Similarity NPC164598
0.71 Intermediate Similarity NPC201718
0.71 Intermediate Similarity NPC476270
0.71 Intermediate Similarity NPC472753
0.71 Intermediate Similarity NPC473384
0.7097 Intermediate Similarity NPC266957
0.7097 Intermediate Similarity NPC475703
0.7083 Intermediate Similarity NPC202824
0.7083 Intermediate Similarity NPC477361
0.7071 Intermediate Similarity NPC279561
0.7065 Intermediate Similarity NPC96621
0.7059 Intermediate Similarity NPC477510
0.7059 Intermediate Similarity NPC471143
0.7059 Intermediate Similarity NPC474741
0.7053 Intermediate Similarity NPC65359
0.7053 Intermediate Similarity NPC253144
0.7033 Intermediate Similarity NPC272814
0.7033 Intermediate Similarity NPC108045
0.7033 Intermediate Similarity NPC475622
0.703 Intermediate Similarity NPC472754
0.7021 Intermediate Similarity NPC476706
0.7021 Intermediate Similarity NPC476707
0.701 Intermediate Similarity NPC473316
0.701 Intermediate Similarity NPC471496
0.701 Intermediate Similarity NPC473330
0.7 Intermediate Similarity NPC477512
0.7 Intermediate Similarity NPC474353
0.6979 Remote Similarity NPC284185
0.6979 Remote Similarity NPC261607
0.6979 Remote Similarity NPC300312
0.6979 Remote Similarity NPC111114
0.6977 Remote Similarity NPC469641
0.6977 Remote Similarity NPC469691
0.6977 Remote Similarity NPC469643
0.6977 Remote Similarity NPC167049
0.697 Remote Similarity NPC471140
0.6966 Remote Similarity NPC268502
0.6966 Remote Similarity NPC254996
0.6961 Remote Similarity NPC472755
0.6961 Remote Similarity NPC472750
0.6961 Remote Similarity NPC472747
0.6957 Remote Similarity NPC115786
0.6957 Remote Similarity NPC475796
0.6957 Remote Similarity NPC469569
0.6957 Remote Similarity NPC90446
0.6947 Remote Similarity NPC151770
0.6939 Remote Similarity NPC273197
0.6939 Remote Similarity NPC473334
0.6939 Remote Similarity NPC234339
0.6931 Remote Similarity NPC305085
0.6931 Remote Similarity NPC477356
0.6931 Remote Similarity NPC47880
0.6931 Remote Similarity NPC84042
0.6923 Remote Similarity NPC477513
0.6915 Remote Similarity NPC72513
0.6915 Remote Similarity NPC231889
0.6907 Remote Similarity NPC475302
0.6905 Remote Similarity NPC261398
0.69 Remote Similarity NPC477355
0.69 Remote Similarity NPC208233
0.6897 Remote Similarity NPC469678
0.6897 Remote Similarity NPC475771
0.6897 Remote Similarity NPC469669
0.6893 Remote Similarity NPC472748
0.6882 Remote Similarity NPC78089
0.6875 Remote Similarity NPC475748
0.6875 Remote Similarity NPC62815
0.6875 Remote Similarity NPC312042
0.6869 Remote Similarity NPC172998
0.6869 Remote Similarity NPC299396
0.6869 Remote Similarity NPC35498
0.6869 Remote Similarity NPC472674
0.6869 Remote Similarity NPC301596
0.6869 Remote Similarity NPC121036
0.6863 Remote Similarity NPC149371
0.6863 Remote Similarity NPC474747
0.6854 Remote Similarity NPC474056
0.6848 Remote Similarity NPC474703
0.6848 Remote Similarity NPC475989
0.6848 Remote Similarity NPC473629
0.6848 Remote Similarity NPC128429
0.6842 Remote Similarity NPC476704
0.6842 Remote Similarity NPC269677
0.6842 Remote Similarity NPC53158
0.6842 Remote Similarity NPC476708
0.6837 Remote Similarity NPC477439
0.6837 Remote Similarity NPC121825
0.6837 Remote Similarity NPC474338
0.6837 Remote Similarity NPC471147
0.6832 Remote Similarity NPC288876
0.6832 Remote Similarity NPC474802
0.6827 Remote Similarity NPC472749
0.6827 Remote Similarity NPC472751
0.6818 Remote Similarity NPC266119
0.6818 Remote Similarity NPC226242
0.6818 Remote Similarity NPC471146
0.6813 Remote Similarity NPC25684
0.6813 Remote Similarity NPC475481
0.6813 Remote Similarity NPC10276
0.6813 Remote Similarity NPC301477
0.6813 Remote Similarity NPC35089
0.6813 Remote Similarity NPC281949
0.6813 Remote Similarity NPC79277
0.6809 Remote Similarity NPC261721
0.6809 Remote Similarity NPC50637
0.6809 Remote Similarity NPC469676
0.6809 Remote Similarity NPC238593
0.6809 Remote Similarity NPC107787
0.6804 Remote Similarity NPC476705
0.6804 Remote Similarity NPC144629
0.68 Remote Similarity NPC87090
0.68 Remote Similarity NPC169205
0.6796 Remote Similarity NPC475871
0.6796 Remote Similarity NPC475945
0.6792 Remote Similarity NPC38154
0.6786 Remote Similarity NPC147635
0.6786 Remote Similarity NPC163693
0.6774 Remote Similarity NPC165287
0.6774 Remote Similarity NPC60951
0.6771 Remote Similarity NPC475971
0.6771 Remote Similarity NPC242877
0.6771 Remote Similarity NPC117405
0.6771 Remote Similarity NPC32922
0.6771 Remote Similarity NPC52198
0.6771 Remote Similarity NPC64913
0.6768 Remote Similarity NPC90121
0.6768 Remote Similarity NPC474490
0.6768 Remote Similarity NPC477437
0.6768 Remote Similarity NPC477438
0.6768 Remote Similarity NPC193645
0.6768 Remote Similarity NPC31021
0.6768 Remote Similarity NPC275960
0.6768 Remote Similarity NPC48803
0.6768 Remote Similarity NPC475659
0.6765 Remote Similarity NPC472685
0.6765 Remote Similarity NPC474742
0.6765 Remote Similarity NPC472702
0.6762 Remote Similarity NPC474716
0.6742 Remote Similarity NPC195785
0.6742 Remote Similarity NPC476325
0.6742 Remote Similarity NPC476264
0.6742 Remote Similarity NPC15975
0.6739 Remote Similarity NPC173609

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120726 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
0.701 Intermediate Similarity NPD5282 Discontinued
0.6768 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6526 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6054 Approved
0.6491 Remote Similarity NPD6059 Approved
0.6435 Remote Similarity NPD6015 Approved
0.6435 Remote Similarity NPD6016 Approved
0.6429 Remote Similarity NPD7341 Phase 2
0.6429 Remote Similarity NPD1695 Approved
0.6383 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5988 Approved
0.6379 Remote Similarity NPD6370 Approved
0.6355 Remote Similarity NPD6008 Approved
0.6306 Remote Similarity NPD6882 Approved
0.6296 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6271 Remote Similarity NPD7492 Approved
0.6239 Remote Similarity NPD8080 Discontinued
0.6239 Remote Similarity NPD7320 Approved
0.6218 Remote Similarity NPD6616 Approved
0.6211 Remote Similarity NPD6435 Approved
0.6204 Remote Similarity NPD6675 Approved
0.6204 Remote Similarity NPD7128 Approved
0.6204 Remote Similarity NPD5739 Approved
0.6204 Remote Similarity NPD6402 Approved
0.6167 Remote Similarity NPD7078 Approved
0.6167 Remote Similarity NPD8293 Discontinued
0.6163 Remote Similarity NPD3704 Approved
0.6162 Remote Similarity NPD6672 Approved
0.6162 Remote Similarity NPD5737 Approved
0.6147 Remote Similarity NPD5701 Approved
0.6147 Remote Similarity NPD5697 Approved
0.6117 Remote Similarity NPD5695 Phase 3
0.6116 Remote Similarity NPD7736 Approved
0.6105 Remote Similarity NPD5369 Approved
0.61 Remote Similarity NPD6101 Approved
0.61 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6091 Remote Similarity NPD6881 Approved
0.6091 Remote Similarity NPD6899 Approved
0.604 Remote Similarity NPD46 Approved
0.604 Remote Similarity NPD6698 Approved
0.6036 Remote Similarity NPD6014 Approved
0.6036 Remote Similarity NPD6012 Approved
0.6036 Remote Similarity NPD6372 Approved
0.6036 Remote Similarity NPD6013 Approved
0.6036 Remote Similarity NPD6373 Approved
0.6017 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6 Remote Similarity NPD5368 Approved
0.6 Remote Similarity NPD6083 Phase 2
0.6 Remote Similarity NPD6084 Phase 2
0.6 Remote Similarity NPD4755 Approved
0.5984 Remote Similarity NPD6033 Approved
0.5982 Remote Similarity NPD7290 Approved
0.5982 Remote Similarity NPD6883 Approved
0.5982 Remote Similarity NPD7102 Approved
0.598 Remote Similarity NPD6411 Approved
0.598 Remote Similarity NPD7983 Approved
0.5977 Remote Similarity NPD7331 Phase 2
0.596 Remote Similarity NPD5786 Approved
0.5946 Remote Similarity NPD6011 Approved
0.5943 Remote Similarity NPD5696 Approved
0.5941 Remote Similarity NPD6904 Approved
0.5941 Remote Similarity NPD6080 Approved
0.5941 Remote Similarity NPD6673 Approved
0.5929 Remote Similarity NPD8130 Phase 1
0.5929 Remote Similarity NPD6649 Approved
0.5929 Remote Similarity NPD6869 Approved
0.5929 Remote Similarity NPD6617 Approved
0.5929 Remote Similarity NPD6847 Approved
0.5929 Remote Similarity NPD6650 Approved
0.5922 Remote Similarity NPD5778 Approved
0.5922 Remote Similarity NPD5779 Approved
0.5905 Remote Similarity NPD7839 Suspended
0.5888 Remote Similarity NPD4700 Approved
0.5888 Remote Similarity NPD5285 Approved
0.5888 Remote Similarity NPD4696 Approved
0.5888 Remote Similarity NPD5286 Approved
0.5882 Remote Similarity NPD5692 Phase 3
0.5877 Remote Similarity NPD8297 Approved
0.5876 Remote Similarity NPD5209 Approved
0.5862 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5363 Approved
0.5859 Remote Similarity NPD1694 Approved
0.5842 Remote Similarity NPD6903 Approved
0.5841 Remote Similarity NPD6371 Approved
0.5825 Remote Similarity NPD6050 Approved
0.5825 Remote Similarity NPD5693 Phase 1
0.5825 Remote Similarity NPD5694 Approved
0.5816 Remote Similarity NPD7154 Phase 3
0.5812 Remote Similarity NPD6009 Approved
0.5812 Remote Similarity NPD8295 Clinical (unspecified phase)
0.581 Remote Similarity NPD6356 Clinical (unspecified phase)
0.58 Remote Similarity NPD6409 Approved
0.58 Remote Similarity NPD7521 Approved
0.58 Remote Similarity NPD5330 Approved
0.58 Remote Similarity NPD7334 Approved
0.58 Remote Similarity NPD6684 Approved
0.58 Remote Similarity NPD7146 Approved
0.5798 Remote Similarity NPD6319 Approved
0.5795 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5789 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5785 Remote Similarity NPD8328 Phase 3
0.5784 Remote Similarity NPD4753 Phase 2
0.578 Remote Similarity NPD5224 Approved
0.578 Remote Similarity NPD5211 Phase 2
0.578 Remote Similarity NPD5225 Approved
0.578 Remote Similarity NPD5226 Approved
0.578 Remote Similarity NPD4633 Approved
0.576 Remote Similarity NPD5956 Approved
0.5728 Remote Similarity NPD5785 Approved
0.5727 Remote Similarity NPD5174 Approved
0.5727 Remote Similarity NPD5175 Approved
0.5726 Remote Similarity NPD6274 Approved
0.5714 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6412 Phase 2
0.5714 Remote Similarity NPD4269 Approved
0.5714 Remote Similarity NPD4270 Approved
0.5702 Remote Similarity NPD4634 Approved
0.5701 Remote Similarity NPD5959 Approved
0.5688 Remote Similarity NPD5223 Approved
0.5686 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5682 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5678 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5676 Remote Similarity NPD5141 Approved
0.5676 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5676 Remote Similarity NPD4056 Clinical (unspecified phase)
0.567 Remote Similarity NPD4695 Discontinued
0.5667 Remote Similarity NPD229 Approved
0.566 Remote Similarity NPD5654 Approved
0.5657 Remote Similarity NPD5362 Discontinued
0.5656 Remote Similarity NPD7642 Approved
0.5644 Remote Similarity NPD5279 Phase 3
0.5644 Remote Similarity NPD6098 Approved
0.5636 Remote Similarity NPD8301 Approved
0.5636 Remote Similarity NPD8300 Approved
0.5632 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4768 Approved
0.5625 Remote Similarity NPD4767 Approved
0.5625 Remote Similarity NPD3617 Approved
0.5619 Remote Similarity NPD6399 Phase 3
0.5607 Remote Similarity NPD4697 Phase 3
0.5607 Remote Similarity NPD5221 Approved
0.5607 Remote Similarity NPD5222 Approved
0.5607 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5603 Remote Similarity NPD6053 Discontinued

Structure

External Identifiers

PubChem CID   76313955
ChEMBL   CHEMBL3109421
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  1.6864
MLogP:  3.22
XLogP:  2.994
# Rotatable Bonds:  5
Polar Surface Area:  48.06
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs