Natural Product: NPC476764

Natural Product ID:  NPC476764
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H34O7
Standard InCHIKey:  DCJZJZPAWZBROQ-MEPMGCCZSA-N
Standard InCHI:  InChI=1S/C24H34O7/c1-5-29-21-23-10-6-9-22(13-30-21,20(26)27-3)18(23)8-7-15-14(2)16-11-19(25)31-24(16,28-4)12-17(15)23/h11,14-15,17-18,21H,5-10,12-13H2,1-4H3/t14-,15+,17+,18+,21?,22?,23?,24-/m1/s1
Canonical SMILES:  CCOC1OCC2([C@H]3C1(CCC2)[C@H]1C[C@@]2(OC)OC(=O)C=C2[C@@H]([C@@H]1CC3)C)C(=O)OC
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
NPO29935 Caesalpinia sappan Species Fabaceae Eukaryota seeds Nanning, Guangxi Province, China 2013-APR PMID[26398312]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 19200 nM 26398312

  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 NPC476764 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 NPC476763
0.9897 High Similarity NPC476761
0.9897 High Similarity NPC476760
0.9897 High Similarity NPC476762
0.96 High Similarity NPC476759
0.9314 High Similarity NPC476766
0.9307 High Similarity NPC476765
0.8866 High Similarity NPC477722
0.8812 High Similarity NPC476769
0.8725 High Similarity NPC476770
0.8667 High Similarity NPC112457
0.8624 High Similarity NPC474483
0.8614 High Similarity NPC476767
0.86 High Similarity NPC476768
0.8585 High Similarity NPC472666
0.8491 Intermediate Similarity NPC31522
0.8476 Intermediate Similarity NPC475570
0.8431 Intermediate Similarity NPC477721
0.8431 Intermediate Similarity NPC477716
0.8396 Intermediate Similarity NPC90946
0.8396 Intermediate Similarity NPC300614
0.8396 Intermediate Similarity NPC473483
0.8393 Intermediate Similarity NPC476150
0.8393 Intermediate Similarity NPC476127
0.835 Intermediate Similarity NPC477717
0.8349 Intermediate Similarity NPC157441
0.8317 Intermediate Similarity NPC325960
0.8317 Intermediate Similarity NPC319692
0.8276 Intermediate Similarity NPC471357
0.8276 Intermediate Similarity NPC146456
0.8276 Intermediate Similarity NPC117702
0.8276 Intermediate Similarity NPC469757
0.8257 Intermediate Similarity NPC194951
0.8257 Intermediate Similarity NPC12046
0.8235 Intermediate Similarity NPC477719
0.8235 Intermediate Similarity NPC477718
0.8235 Intermediate Similarity NPC257726
0.8235 Intermediate Similarity NPC204054
0.823 Intermediate Similarity NPC470312
0.8224 Intermediate Similarity NPC177524
0.8224 Intermediate Similarity NPC219900
0.8224 Intermediate Similarity NPC325054
0.8224 Intermediate Similarity NPC61411
0.8224 Intermediate Similarity NPC392
0.82 Intermediate Similarity NPC472303
0.819 Intermediate Similarity NPC254202
0.8182 Intermediate Similarity NPC8062
0.8174 Intermediate Similarity NPC27363
0.8173 Intermediate Similarity NPC471075
0.8158 Intermediate Similarity NPC476204
0.8158 Intermediate Similarity NPC170084
0.8137 Intermediate Similarity NPC8954
0.8137 Intermediate Similarity NPC94905
0.8136 Intermediate Similarity NPC471360
0.8136 Intermediate Similarity NPC10823
0.8136 Intermediate Similarity NPC6108
0.8136 Intermediate Similarity NPC469755
0.8136 Intermediate Similarity NPC471359
0.8136 Intermediate Similarity NPC219085
0.8136 Intermediate Similarity NPC471352
0.8136 Intermediate Similarity NPC251866
0.8136 Intermediate Similarity NPC469751
0.8136 Intermediate Similarity NPC284406
0.8136 Intermediate Similarity NPC197707
0.8136 Intermediate Similarity NPC180079
0.8136 Intermediate Similarity NPC469753
0.8136 Intermediate Similarity NPC471358
0.8136 Intermediate Similarity NPC86159
0.8136 Intermediate Similarity NPC469754
0.8136 Intermediate Similarity NPC471361
0.8136 Intermediate Similarity NPC17896
0.8136 Intermediate Similarity NPC70542
0.8136 Intermediate Similarity NPC469752
0.8136 Intermediate Similarity NPC89514
0.8136 Intermediate Similarity NPC9499
0.8119 Intermediate Similarity NPC84893
0.81 Intermediate Similarity NPC289479
0.8077 Intermediate Similarity NPC471413
0.8077 Intermediate Similarity NPC117685
0.807 Intermediate Similarity NPC281840
0.8058 Intermediate Similarity NPC475709
0.8051 Intermediate Similarity NPC311534
0.8036 Intermediate Similarity NPC471816
0.8034 Intermediate Similarity NPC469750
0.8034 Intermediate Similarity NPC250556
0.8019 Intermediate Similarity NPC471365
0.8019 Intermediate Similarity NPC471364
0.8019 Intermediate Similarity NPC132395
0.8 Intermediate Similarity NPC270586
0.8 Intermediate Similarity NPC471412
0.7966 Intermediate Similarity NPC240070
0.7966 Intermediate Similarity NPC179412
0.7966 Intermediate Similarity NPC329784
0.7966 Intermediate Similarity NPC471356
0.7961 Intermediate Similarity NPC73858
0.7961 Intermediate Similarity NPC29952
0.7949 Intermediate Similarity NPC318135
0.7946 Intermediate Similarity NPC110861
0.7946 Intermediate Similarity NPC472274
0.7944 Intermediate Similarity NPC222161
0.7938 Intermediate Similarity NPC71626
0.7934 Intermediate Similarity NPC247190
0.7934 Intermediate Similarity NPC116075
0.7934 Intermediate Similarity NPC146857
0.7934 Intermediate Similarity NPC32793
0.7934 Intermediate Similarity NPC469749
0.7928 Intermediate Similarity NPC4573
0.7928 Intermediate Similarity NPC277769
0.7928 Intermediate Similarity NPC222834
0.7928 Intermediate Similarity NPC90952
0.7925 Intermediate Similarity NPC134077
0.7925 Intermediate Similarity NPC162973
0.7925 Intermediate Similarity NPC165250
0.7921 Intermediate Similarity NPC474631
0.7905 Intermediate Similarity NPC470761
0.7905 Intermediate Similarity NPC475156
0.7905 Intermediate Similarity NPC473576
0.7905 Intermediate Similarity NPC477720
0.7905 Intermediate Similarity NPC473219
0.7895 Intermediate Similarity NPC239293
0.789 Intermediate Similarity NPC189075
0.789 Intermediate Similarity NPC275539
0.7885 Intermediate Similarity NPC51499
0.7885 Intermediate Similarity NPC472188
0.7876 Intermediate Similarity NPC72772
0.7876 Intermediate Similarity NPC268954
0.7876 Intermediate Similarity NPC44170
0.7876 Intermediate Similarity NPC469794
0.7869 Intermediate Similarity NPC329636
0.7857 Intermediate Similarity NPC472442
0.7857 Intermediate Similarity NPC264153
0.7857 Intermediate Similarity NPC474013
0.785 Intermediate Similarity NPC120009
0.785 Intermediate Similarity NPC471208
0.785 Intermediate Similarity NPC45897
0.785 Intermediate Similarity NPC95899
0.7838 Intermediate Similarity NPC31839
0.7835 Intermediate Similarity NPC472440
0.7833 Intermediate Similarity NPC276838
0.7833 Intermediate Similarity NPC477196
0.7833 Intermediate Similarity NPC140092
0.7833 Intermediate Similarity NPC188234
0.7833 Intermediate Similarity NPC91
0.7833 Intermediate Similarity NPC125077
0.7833 Intermediate Similarity NPC232785
0.7833 Intermediate Similarity NPC329986
0.783 Intermediate Similarity NPC93744
0.783 Intermediate Similarity NPC476888
0.783 Intermediate Similarity NPC63249
0.7826 Intermediate Similarity NPC122971
0.7822 Intermediate Similarity NPC161638
0.7822 Intermediate Similarity NPC477782
0.7818 Intermediate Similarity NPC475030
0.7818 Intermediate Similarity NPC471250
0.7815 Intermediate Similarity NPC298841
0.7815 Intermediate Similarity NPC470516
0.781 Intermediate Similarity NPC471366
0.781 Intermediate Similarity NPC318917
0.781 Intermediate Similarity NPC476800
0.781 Intermediate Similarity NPC275086
0.781 Intermediate Similarity NPC472186
0.781 Intermediate Similarity NPC325229
0.7807 Intermediate Similarity NPC473968
0.7807 Intermediate Similarity NPC473405
0.7805 Intermediate Similarity NPC194716
0.7798 Intermediate Similarity NPC110496
0.7797 Intermediate Similarity NPC32868
0.7797 Intermediate Similarity NPC241456
0.7788 Intermediate Similarity NPC112654
0.7788 Intermediate Similarity NPC242848
0.7788 Intermediate Similarity NPC194132
0.7788 Intermediate Similarity NPC17578
0.7788 Intermediate Similarity NPC471633
0.7788 Intermediate Similarity NPC31354
0.7788 Intermediate Similarity NPC164750
0.7788 Intermediate Similarity NPC69576
0.7788 Intermediate Similarity NPC134072
0.7788 Intermediate Similarity NPC84949
0.7788 Intermediate Similarity NPC234993
0.7788 Intermediate Similarity NPC240673
0.7788 Intermediate Similarity NPC311166
0.7769 Intermediate Similarity NPC476074
0.7769 Intermediate Similarity NPC134914
0.7769 Intermediate Similarity NPC475167
0.7769 Intermediate Similarity NPC16569
0.7769 Intermediate Similarity NPC173435
0.7769 Intermediate Similarity NPC262796
0.7769 Intermediate Similarity NPC478065
0.7769 Intermediate Similarity NPC300655
0.7769 Intermediate Similarity NPC478155
0.7769 Intermediate Similarity NPC301639
0.7769 Intermediate Similarity NPC25998
0.7769 Intermediate Similarity NPC253456
0.7769 Intermediate Similarity NPC475377
0.7769 Intermediate Similarity NPC264566
0.7769 Intermediate Similarity NPC311178
0.7769 Intermediate Similarity NPC329993
0.7769 Intermediate Similarity NPC222951
0.7769 Intermediate Similarity NPC159338
0.7769 Intermediate Similarity NPC45346

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476764 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
0.8224 Intermediate Similarity NPD6686 Approved
0.8136 Intermediate Similarity NPD7319 Approved
0.8034 Intermediate Similarity NPD7507 Approved
0.781 Intermediate Similarity NPD7638 Approved
0.7736 Intermediate Similarity NPD7639 Approved
0.7736 Intermediate Similarity NPD7640 Approved
0.7732 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7328 Approved
0.7586 Intermediate Similarity NPD7327 Approved
0.7563 Intermediate Similarity NPD8328 Phase 3
0.7521 Intermediate Similarity NPD7516 Approved
0.7477 Intermediate Similarity NPD6412 Phase 2
0.7458 Intermediate Similarity NPD8377 Approved
0.7458 Intermediate Similarity NPD8294 Approved
0.7395 Intermediate Similarity NPD8335 Approved
0.7395 Intermediate Similarity NPD8380 Approved
0.7395 Intermediate Similarity NPD8296 Approved
0.7395 Intermediate Similarity NPD8379 Approved
0.7395 Intermediate Similarity NPD8378 Approved
0.7395 Intermediate Similarity NPD8033 Approved
0.7391 Intermediate Similarity NPD8133 Approved
0.7317 Intermediate Similarity NPD7736 Approved
0.7282 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD7900 Approved
0.7264 Intermediate Similarity NPD7748 Approved
0.7264 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3573 Approved
0.7168 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7632 Discontinued
0.7115 Intermediate Similarity NPD6672 Approved
0.7115 Intermediate Similarity NPD5737 Approved
0.7097 Intermediate Similarity NPD8293 Discontinued
0.7087 Intermediate Similarity NPD5330 Approved
0.7087 Intermediate Similarity NPD7146 Approved
0.7087 Intermediate Similarity NPD7334 Approved
0.7087 Intermediate Similarity NPD6684 Approved
0.7087 Intermediate Similarity NPD7521 Approved
0.7087 Intermediate Similarity NPD6409 Approved
0.7075 Intermediate Similarity NPD7515 Phase 2
0.7064 Intermediate Similarity NPD7902 Approved
0.7059 Intermediate Similarity NPD7115 Discovery
0.7049 Intermediate Similarity NPD6370 Approved
0.7043 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4225 Approved
0.6983 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6967 Remote Similarity NPD7503 Approved
0.6967 Remote Similarity NPD8513 Phase 3
0.6967 Remote Similarity NPD8517 Approved
0.6967 Remote Similarity NPD8516 Approved
0.6967 Remote Similarity NPD8515 Approved
0.6952 Remote Similarity NPD6903 Approved
0.6935 Remote Similarity NPD7492 Approved
0.693 Remote Similarity NPD6008 Approved
0.6916 Remote Similarity NPD5693 Phase 1
0.6885 Remote Similarity NPD6054 Approved
0.6885 Remote Similarity NPD6059 Approved
0.688 Remote Similarity NPD6616 Approved
0.6864 Remote Similarity NPD6882 Approved
0.6827 Remote Similarity NPD1694 Approved
0.6825 Remote Similarity NPD7078 Approved
0.681 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6675 Approved
0.6783 Remote Similarity NPD5739 Approved
0.6783 Remote Similarity NPD7128 Approved
0.6783 Remote Similarity NPD6402 Approved
0.6759 Remote Similarity NPD6411 Approved
0.6757 Remote Similarity NPD6083 Phase 2
0.6757 Remote Similarity NPD6084 Phase 2
0.6729 Remote Similarity NPD6080 Approved
0.6729 Remote Similarity NPD6904 Approved
0.6729 Remote Similarity NPD6673 Approved
0.6727 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6697 Remote Similarity NPD5779 Approved
0.6697 Remote Similarity NPD5778 Approved
0.6697 Remote Similarity NPD6399 Phase 3
0.6694 Remote Similarity NPD6015 Approved
0.6694 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD6914 Discontinued
0.6667 Remote Similarity NPD6881 Approved
0.664 Remote Similarity NPD5988 Approved
0.6639 Remote Similarity NPD6009 Approved
0.6613 Remote Similarity NPD6319 Approved
0.661 Remote Similarity NPD6372 Approved
0.661 Remote Similarity NPD6373 Approved
0.6606 Remote Similarity NPD8034 Phase 2
0.6606 Remote Similarity NPD8035 Phase 2
0.6583 Remote Similarity NPD6053 Discontinued
0.6581 Remote Similarity NPD5701 Approved
0.6581 Remote Similarity NPD5697 Approved
0.6577 Remote Similarity NPD5695 Phase 3
0.6574 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6101 Approved
0.6574 Remote Similarity NPD5328 Approved
0.6574 Remote Similarity NPD6051 Approved
0.6571 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7102 Approved
0.6555 Remote Similarity NPD7290 Approved
0.6555 Remote Similarity NPD6883 Approved
0.6549 Remote Similarity NPD5696 Approved
0.6518 Remote Similarity NPD7732 Phase 3
0.6514 Remote Similarity NPD6698 Approved
0.6514 Remote Similarity NPD46 Approved
0.6509 Remote Similarity NPD7520 Clinical (unspecified phase)
0.65 Remote Similarity NPD6617 Approved
0.65 Remote Similarity NPD6649 Approved
0.65 Remote Similarity NPD6847 Approved
0.65 Remote Similarity NPD8130 Phase 1
0.65 Remote Similarity NPD6869 Approved
0.65 Remote Similarity NPD6650 Approved
0.6481 Remote Similarity NPD5208 Approved
0.6471 Remote Similarity NPD6013 Approved
0.6471 Remote Similarity NPD6014 Approved
0.6471 Remote Similarity NPD6012 Approved
0.6457 Remote Similarity NPD6067 Discontinued
0.6455 Remote Similarity NPD6050 Approved
0.6455 Remote Similarity NPD7637 Suspended
0.6455 Remote Similarity NPD6079 Approved
0.6449 Remote Similarity NPD6098 Approved
0.6449 Remote Similarity NPD3618 Phase 1
0.6446 Remote Similarity NPD8297 Approved
0.6422 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6393 Remote Similarity NPD4632 Approved
0.6387 Remote Similarity NPD6011 Approved
0.6385 Remote Similarity NPD6033 Approved
0.6385 Remote Similarity NPD8336 Approved
0.6385 Remote Similarity NPD8337 Approved
0.6364 Remote Similarity NPD5692 Phase 3
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6339 Remote Similarity NPD6001 Approved
0.6337 Remote Similarity NPD8039 Approved
0.6316 Remote Similarity NPD4755 Approved
0.6308 Remote Similarity NPD8074 Phase 3
0.6306 Remote Similarity NPD5694 Approved
0.6296 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6283 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6281 Remote Similarity NPD4634 Approved
0.6281 Remote Similarity NPD6371 Approved
0.6273 Remote Similarity NPD4753 Phase 2
0.6262 Remote Similarity NPD4786 Approved
0.6262 Remote Similarity NPD3133 Approved
0.6262 Remote Similarity NPD3668 Phase 3
0.6262 Remote Similarity NPD3666 Approved
0.6262 Remote Similarity NPD3665 Phase 1
0.6239 Remote Similarity NPD5211 Phase 2
0.6228 Remote Similarity NPD5222 Approved
0.6228 Remote Similarity NPD4697 Phase 3
0.6228 Remote Similarity NPD7614 Phase 1
0.6228 Remote Similarity NPD5221 Approved
0.6228 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6228 Remote Similarity NPD7839 Suspended
0.6226 Remote Similarity NPD5209 Approved
0.6226 Remote Similarity NPD3667 Approved
0.6216 Remote Similarity NPD5785 Approved
0.6216 Remote Similarity NPD5207 Approved
0.6207 Remote Similarity NPD5286 Approved
0.6207 Remote Similarity NPD4700 Approved
0.6207 Remote Similarity NPD4696 Approved
0.6207 Remote Similarity NPD5285 Approved
0.6202 Remote Similarity NPD7604 Phase 2
0.6195 Remote Similarity NPD5282 Discontinued
0.6194 Remote Similarity NPD8338 Approved
0.6174 Remote Similarity NPD5173 Approved
0.6172 Remote Similarity NPD5983 Phase 2
0.6172 Remote Similarity NPD6921 Approved
0.6167 Remote Similarity NPD7899 Clinical (unspecified phase)
0.616 Remote Similarity NPD6274 Approved
0.616 Remote Similarity NPD6868 Approved
0.6147 Remote Similarity NPD4519 Discontinued
0.6147 Remote Similarity NPD4623 Approved
0.6142 Remote Similarity NPD7100 Approved
0.6142 Remote Similarity NPD7101 Approved
0.6134 Remote Similarity NPD5141 Approved
0.6134 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6132 Remote Similarity NPD1780 Approved
0.6132 Remote Similarity NPD1779 Approved
0.6121 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6107 Remote Similarity NPD6336 Discontinued
0.6106 Remote Similarity NPD4202 Approved
0.6102 Remote Similarity NPD5224 Approved
0.6102 Remote Similarity NPD5225 Approved
0.6102 Remote Similarity NPD4633 Approved
0.6102 Remote Similarity NPD5226 Approved
0.6095 Remote Similarity NPD7645 Phase 2
0.6084 Remote Similarity NPD7625 Phase 1
0.6077 Remote Similarity NPD7830 Approved
0.6077 Remote Similarity NPD7829 Approved
0.6075 Remote Similarity NPD4223 Phase 3
0.6075 Remote Similarity NPD4221 Approved
0.6068 Remote Similarity NPD6648 Approved
0.6063 Remote Similarity NPD6335 Approved
0.6055 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5329 Approved
0.605 Remote Similarity NPD5174 Approved
0.605 Remote Similarity NPD5175 Approved
0.605 Remote Similarity NPD6052 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634144
ZINC  

Physicochemical Properties

Molecular Weight:  434.23
ALogP:  -0.2318
MLogP:  3.33
XLogP:  3.008
# Rotatable Bonds:  9
Polar Surface Area:  80.29
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  31

Download Data

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