Natural Product: NPC477356

Natural Product ID:  NPC477356
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H32O5
Standard InCHIKey:  WOQBUFGEWLXSNN-AHUQOVQWSA-N
Standard InCHI:  InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15-,16+,17-,19+,21+,22+/m0/s1
Canonical SMILES:  CC(=O)O[C@@]12C[C@@H]([C@@H]([C@@H]2[C@H]2O[C@]2(C)CC[C@H]2[C@H](/C=C(/C1=O)C)C2(C)C)O)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
NPO28682 Jatropha multifida Species Euphorbiaceae Eukaryota stems Botanical Garden, Osmania University, Hyderabad, Andhra Pradesh 2006-AUG PMID[21534583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity < 30 % 21534583

  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 NPC477356 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
0.9785 High Similarity NPC477355
0.9677 High Similarity NPC87090
0.957 High Similarity NPC477354
0.9479 High Similarity NPC118405
0.9247 High Similarity NPC477361
0.9247 High Similarity NPC202824
0.8842 High Similarity NPC125180
0.8692 High Similarity NPC475305
0.8611 High Similarity NPC475401
0.8532 High Similarity NPC477092
0.8396 Intermediate Similarity NPC475495
0.835 Intermediate Similarity NPC235889
0.8318 Intermediate Similarity NPC475277
0.8318 Intermediate Similarity NPC473522
0.8318 Intermediate Similarity NPC477093
0.8269 Intermediate Similarity NPC181265
0.8265 Intermediate Similarity NPC109414
0.8224 Intermediate Similarity NPC214797
0.8224 Intermediate Similarity NPC231589
0.8224 Intermediate Similarity NPC118860
0.8208 Intermediate Similarity NPC241927
0.8208 Intermediate Similarity NPC258543
0.8148 Intermediate Similarity NPC170487
0.8108 Intermediate Similarity NPC118638
0.8058 Intermediate Similarity NPC477950
0.8039 Intermediate Similarity NPC222011
0.8019 Intermediate Similarity NPC470192
0.8019 Intermediate Similarity NPC44063
0.7982 Intermediate Similarity NPC71348
0.7981 Intermediate Similarity NPC271266
0.7981 Intermediate Similarity NPC308351
0.7941 Intermediate Similarity NPC69385
0.7928 Intermediate Similarity NPC270958
0.7909 Intermediate Similarity NPC202889
0.7895 Intermediate Similarity NPC475622
0.7895 Intermediate Similarity NPC108045
0.789 Intermediate Similarity NPC43775
0.787 Intermediate Similarity NPC2766
0.787 Intermediate Similarity NPC304495
0.7864 Intermediate Similarity NPC470188
0.783 Intermediate Similarity NPC310586
0.783 Intermediate Similarity NPC137657
0.7818 Intermediate Similarity NPC100267
0.7818 Intermediate Similarity NPC475524
0.7818 Intermediate Similarity NPC221144
0.781 Intermediate Similarity NPC15396
0.781 Intermediate Similarity NPC471757
0.781 Intermediate Similarity NPC105725
0.781 Intermediate Similarity NPC78127
0.78 Intermediate Similarity NPC221282
0.7778 Intermediate Similarity NPC470269
0.7768 Intermediate Similarity NPC298278
0.7757 Intermediate Similarity NPC470267
0.7757 Intermediate Similarity NPC474101
0.7755 Intermediate Similarity NPC471739
0.7755 Intermediate Similarity NPC197333
0.7755 Intermediate Similarity NPC471738
0.7714 Intermediate Similarity NPC237190
0.7714 Intermediate Similarity NPC476270
0.7706 Intermediate Similarity NPC474901
0.7706 Intermediate Similarity NPC475941
0.77 Intermediate Similarity NPC477711
0.7686 Intermediate Similarity NPC37968
0.7684 Intermediate Similarity NPC286229
0.7664 Intermediate Similarity NPC309190
0.7642 Intermediate Similarity NPC87351
0.7642 Intermediate Similarity NPC49393
0.7636 Intermediate Similarity NPC41551
0.7636 Intermediate Similarity NPC50223
0.7634 Intermediate Similarity NPC276769
0.7629 Intermediate Similarity NPC475796
0.7629 Intermediate Similarity NPC90446
0.7624 Intermediate Similarity NPC219874
0.7619 Intermediate Similarity NPC476274
0.7619 Intermediate Similarity NPC474720
0.7615 Intermediate Similarity NPC117604
0.7611 Intermediate Similarity NPC148458
0.76 Intermediate Similarity NPC97032
0.7596 Intermediate Similarity NPC161493
0.7593 Intermediate Similarity NPC196528
0.7593 Intermediate Similarity NPC54737
0.7593 Intermediate Similarity NPC314244
0.7593 Intermediate Similarity NPC265127
0.7573 Intermediate Similarity NPC163228
0.7573 Intermediate Similarity NPC469599
0.7573 Intermediate Similarity NPC470978
0.7573 Intermediate Similarity NPC470974
0.757 Intermediate Similarity NPC311612
0.757 Intermediate Similarity NPC470839
0.757 Intermediate Similarity NPC472755
0.757 Intermediate Similarity NPC111323
0.757 Intermediate Similarity NPC236390
0.7568 Intermediate Similarity NPC475937
0.7568 Intermediate Similarity NPC158523
0.7551 Intermediate Similarity NPC36350
0.7549 Intermediate Similarity NPC475488
0.7547 Intermediate Similarity NPC171759
0.7547 Intermediate Similarity NPC471767
0.7547 Intermediate Similarity NPC476240
0.7547 Intermediate Similarity NPC476223
0.7547 Intermediate Similarity NPC224720
0.7547 Intermediate Similarity NPC472753
0.7545 Intermediate Similarity NPC59489
0.7545 Intermediate Similarity NPC77089
0.7545 Intermediate Similarity NPC139838
0.7544 Intermediate Similarity NPC239273
0.7544 Intermediate Similarity NPC471854
0.7527 Intermediate Similarity NPC226242
0.7526 Intermediate Similarity NPC52609
0.7526 Intermediate Similarity NPC1761
0.7525 Intermediate Similarity NPC469368
0.7524 Intermediate Similarity NPC109556
0.7524 Intermediate Similarity NPC221615
0.7524 Intermediate Similarity NPC197386
0.7523 Intermediate Similarity NPC475294
0.7521 Intermediate Similarity NPC477357
0.75 Intermediate Similarity NPC477710
0.75 Intermediate Similarity NPC475902
0.75 Intermediate Similarity NPC475970
0.75 Intermediate Similarity NPC294480
0.75 Intermediate Similarity NPC213078
0.75 Intermediate Similarity NPC13385
0.75 Intermediate Similarity NPC18019
0.75 Intermediate Similarity NPC24956
0.7478 Intermediate Similarity NPC257457
0.7478 Intermediate Similarity NPC311554
0.7477 Intermediate Similarity NPC250594
0.7477 Intermediate Similarity NPC257240
0.7477 Intermediate Similarity NPC477103
0.7477 Intermediate Similarity NPC119601
0.7477 Intermediate Similarity NPC204450
0.7477 Intermediate Similarity NPC308726
0.7477 Intermediate Similarity NPC195290
0.7477 Intermediate Similarity NPC153036
0.7477 Intermediate Similarity NPC472754
0.7477 Intermediate Similarity NPC473928
0.7476 Intermediate Similarity NPC90453
0.7476 Intermediate Similarity NPC298919
0.7475 Intermediate Similarity NPC469676
0.7474 Intermediate Similarity NPC622
0.7474 Intermediate Similarity NPC276647
0.7474 Intermediate Similarity NPC471740
0.7459 Intermediate Similarity NPC477370
0.7455 Intermediate Similarity NPC211224
0.7453 Intermediate Similarity NPC112167
0.7453 Intermediate Similarity NPC144956
0.7451 Intermediate Similarity NPC154101
0.7449 Intermediate Similarity NPC165287
0.7438 Intermediate Similarity NPC477363
0.7438 Intermediate Similarity NPC477366
0.7434 Intermediate Similarity NPC101965
0.7434 Intermediate Similarity NPC101400
0.7434 Intermediate Similarity NPC71889
0.7434 Intermediate Similarity NPC194100
0.7431 Intermediate Similarity NPC475661
0.7431 Intermediate Similarity NPC291643
0.7431 Intermediate Similarity NPC473488
0.7431 Intermediate Similarity NPC243998
0.7429 Intermediate Similarity NPC169205
0.7429 Intermediate Similarity NPC470834
0.7429 Intermediate Similarity NPC477949
0.7429 Intermediate Similarity NPC18509
0.7426 Intermediate Similarity NPC52198
0.7426 Intermediate Similarity NPC117405
0.7419 Intermediate Similarity NPC251435
0.7414 Intermediate Similarity NPC61520
0.7411 Intermediate Similarity NPC474871
0.7411 Intermediate Similarity NPC470281
0.7411 Intermediate Similarity NPC260786
0.7411 Intermediate Similarity NPC174471
0.7411 Intermediate Similarity NPC96739
0.7407 Intermediate Similarity NPC472750
0.7407 Intermediate Similarity NPC470310
0.7407 Intermediate Similarity NPC123505
0.7407 Intermediate Similarity NPC472747
0.7404 Intermediate Similarity NPC48803
0.7404 Intermediate Similarity NPC477438
0.7404 Intermediate Similarity NPC213698
0.7404 Intermediate Similarity NPC193645
0.7404 Intermediate Similarity NPC275960
0.7404 Intermediate Similarity NPC476053
0.7404 Intermediate Similarity NPC67584
0.7404 Intermediate Similarity NPC37408
0.7404 Intermediate Similarity NPC279313
0.7404 Intermediate Similarity NPC477437
0.7404 Intermediate Similarity NPC90121
0.7404 Intermediate Similarity NPC52044
0.7404 Intermediate Similarity NPC472469
0.74 Intermediate Similarity NPC312215
0.7387 Intermediate Similarity NPC477102
0.7387 Intermediate Similarity NPC471934
0.7387 Intermediate Similarity NPC470257
0.7387 Intermediate Similarity NPC471400
0.7387 Intermediate Similarity NPC47951
0.7383 Intermediate Similarity NPC185141
0.7383 Intermediate Similarity NPC474327
0.7383 Intermediate Similarity NPC201718
0.7383 Intermediate Similarity NPC46998
0.7383 Intermediate Similarity NPC133907
0.7383 Intermediate Similarity NPC302537

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477356 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
0.8113 Intermediate Similarity NPD6899 Approved
0.8113 Intermediate Similarity NPD6881 Approved
0.8095 Intermediate Similarity NPD5739 Approved
0.8095 Intermediate Similarity NPD7128 Approved
0.8095 Intermediate Similarity NPD6675 Approved
0.8095 Intermediate Similarity NPD6402 Approved
0.8056 Intermediate Similarity NPD6650 Approved
0.8056 Intermediate Similarity NPD6649 Approved
0.8037 Intermediate Similarity NPD6373 Approved
0.8037 Intermediate Similarity NPD6372 Approved
0.8019 Intermediate Similarity NPD5697 Approved
0.7979 Intermediate Similarity NPD6435 Approved
0.7963 Intermediate Similarity NPD7102 Approved
0.7963 Intermediate Similarity NPD7290 Approved
0.7963 Intermediate Similarity NPD6883 Approved
0.7944 Intermediate Similarity NPD7320 Approved
0.7941 Intermediate Similarity NPD6083 Phase 2
0.7941 Intermediate Similarity NPD6084 Phase 2
0.789 Intermediate Similarity NPD6617 Approved
0.789 Intermediate Similarity NPD8130 Phase 1
0.789 Intermediate Similarity NPD6869 Approved
0.789 Intermediate Similarity NPD6847 Approved
0.787 Intermediate Similarity NPD6013 Approved
0.787 Intermediate Similarity NPD6014 Approved
0.787 Intermediate Similarity NPD6012 Approved
0.785 Intermediate Similarity NPD5701 Approved
0.7818 Intermediate Similarity NPD8297 Approved
0.7818 Intermediate Similarity NPD6882 Approved
0.7778 Intermediate Similarity NPD6011 Approved
0.7766 Intermediate Similarity NPD5368 Approved
0.7745 Intermediate Similarity NPD5695 Phase 3
0.7692 Intermediate Similarity NPD5696 Approved
0.7568 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD5785 Approved
0.75 Intermediate Similarity NPD5369 Approved
0.7477 Intermediate Similarity NPD6371 Approved
0.7456 Intermediate Similarity NPD6274 Approved
0.7453 Intermediate Similarity NPD5286 Approved
0.7453 Intermediate Similarity NPD5285 Approved
0.7453 Intermediate Similarity NPD4696 Approved
0.7429 Intermediate Similarity NPD4755 Approved
0.7414 Intermediate Similarity NPD7100 Approved
0.7414 Intermediate Similarity NPD7101 Approved
0.7404 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD5363 Approved
0.7328 Intermediate Similarity NPD6335 Approved
0.7315 Intermediate Similarity NPD5225 Approved
0.7315 Intermediate Similarity NPD4633 Approved
0.7315 Intermediate Similarity NPD5226 Approved
0.7315 Intermediate Similarity NPD5224 Approved
0.7315 Intermediate Similarity NPD5211 Phase 2
0.7311 Intermediate Similarity NPD7604 Phase 2
0.73 Intermediate Similarity NPD5786 Approved
0.729 Intermediate Similarity NPD4700 Approved
0.7273 Intermediate Similarity NPD6008 Approved
0.7255 Intermediate Similarity NPD6673 Approved
0.7255 Intermediate Similarity NPD6904 Approved
0.7255 Intermediate Similarity NPD6080 Approved
0.7255 Intermediate Similarity NPD4753 Phase 2
0.7248 Intermediate Similarity NPD5175 Approved
0.7248 Intermediate Similarity NPD5174 Approved
0.7241 Intermediate Similarity NPD6317 Approved
0.7238 Intermediate Similarity NPD4629 Approved
0.7238 Intermediate Similarity NPD5210 Approved
0.7222 Intermediate Similarity NPD5223 Approved
0.7216 Intermediate Similarity NPD4820 Approved
0.7216 Intermediate Similarity NPD4819 Approved
0.7216 Intermediate Similarity NPD4822 Approved
0.7216 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD4821 Approved
0.7212 Intermediate Similarity NPD6399 Phase 3
0.7203 Intermediate Similarity NPD6319 Approved
0.7182 Intermediate Similarity NPD5141 Approved
0.7179 Intermediate Similarity NPD6314 Approved
0.7179 Intermediate Similarity NPD6313 Approved
0.7172 Intermediate Similarity NPD5362 Discontinued
0.7157 Intermediate Similarity NPD5737 Approved
0.7157 Intermediate Similarity NPD6672 Approved
0.7143 Intermediate Similarity NPD6909 Approved
0.7143 Intermediate Similarity NPD6908 Approved
0.713 Intermediate Similarity NPD4632 Approved
0.7115 Intermediate Similarity NPD6050 Approved
0.7107 Intermediate Similarity NPD7492 Approved
0.7094 Intermediate Similarity NPD6009 Approved
0.7075 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4270 Approved
0.7071 Intermediate Similarity NPD4269 Approved
0.7059 Intermediate Similarity NPD6054 Approved
0.7054 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD6616 Approved
0.7043 Intermediate Similarity NPD6053 Discontinued
0.7019 Intermediate Similarity NPD5692 Phase 3
0.701 Intermediate Similarity NPD4271 Approved
0.701 Intermediate Similarity NPD4268 Approved
0.701 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7154 Phase 3
0.7 Intermediate Similarity NPD5983 Phase 2
0.6992 Remote Similarity NPD7078 Approved
0.6991 Remote Similarity NPD4730 Approved
0.6991 Remote Similarity NPD4729 Approved
0.6991 Remote Similarity NPD5128 Approved
0.6981 Remote Similarity NPD5282 Discontinued
0.6964 Remote Similarity NPD4767 Approved
0.6964 Remote Similarity NPD4768 Approved
0.6961 Remote Similarity NPD7334 Approved
0.6961 Remote Similarity NPD6684 Approved
0.6961 Remote Similarity NPD7146 Approved
0.6961 Remote Similarity NPD5330 Approved
0.6961 Remote Similarity NPD7521 Approved
0.6961 Remote Similarity NPD6098 Approved
0.6961 Remote Similarity NPD6409 Approved
0.6952 Remote Similarity NPD5284 Approved
0.6952 Remote Similarity NPD5281 Approved
0.6952 Remote Similarity NPD5694 Approved
0.6952 Remote Similarity NPD5693 Phase 1
0.6949 Remote Similarity NPD7115 Discovery
0.6942 Remote Similarity NPD6370 Approved
0.6937 Remote Similarity NPD4754 Approved
0.6935 Remote Similarity NPD7736 Approved
0.6923 Remote Similarity NPD1695 Approved
0.6917 Remote Similarity NPD6059 Approved
0.6911 Remote Similarity NPD6336 Discontinued
0.687 Remote Similarity NPD5250 Approved
0.687 Remote Similarity NPD5249 Phase 3
0.687 Remote Similarity NPD5251 Approved
0.687 Remote Similarity NPD5248 Approved
0.687 Remote Similarity NPD4634 Approved
0.687 Remote Similarity NPD5247 Approved
0.6869 Remote Similarity NPD4252 Approved
0.6864 Remote Similarity NPD6868 Approved
0.6863 Remote Similarity NPD5329 Approved
0.6863 Remote Similarity NPD6082 Clinical (unspecified phase)
0.686 Remote Similarity NPD6015 Approved
0.686 Remote Similarity NPD6016 Approved
0.6855 Remote Similarity NPD8293 Discontinued
0.6852 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6852 Remote Similarity NPD5222 Approved
0.6852 Remote Similarity NPD5221 Approved
0.6852 Remote Similarity NPD4697 Phase 3
0.6827 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6903 Approved
0.6822 Remote Similarity NPD6001 Approved
0.681 Remote Similarity NPD5217 Approved
0.681 Remote Similarity NPD5216 Approved
0.681 Remote Similarity NPD5215 Approved
0.6803 Remote Similarity NPD5988 Approved
0.6796 Remote Similarity NPD5690 Phase 2
0.6796 Remote Similarity NPD5279 Phase 3
0.6792 Remote Similarity NPD6411 Approved
0.6792 Remote Similarity NPD6079 Approved
0.6789 Remote Similarity NPD5173 Approved
0.6789 Remote Similarity NPD5959 Approved
0.6765 Remote Similarity NPD3666 Approved
0.6765 Remote Similarity NPD3133 Approved
0.6765 Remote Similarity NPD4197 Approved
0.6765 Remote Similarity NPD3665 Phase 1
0.6762 Remote Similarity NPD5328 Approved
0.6731 Remote Similarity NPD4250 Approved
0.6731 Remote Similarity NPD4251 Approved
0.6729 Remote Similarity NPD4202 Approved
0.6724 Remote Similarity NPD5135 Approved
0.6724 Remote Similarity NPD5169 Approved
0.6724 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6698 Remote Similarity NPD6698 Approved
0.6698 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD5331 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5332 Approved
0.6635 Remote Similarity NPD5280 Approved
0.6635 Remote Similarity NPD4694 Approved
0.6635 Remote Similarity NPD4249 Approved
0.6634 Remote Similarity NPD4790 Discontinued
0.6609 Remote Similarity NPD6412 Phase 2
0.6609 Remote Similarity NPD6614 Approved
0.6606 Remote Similarity NPD5654 Approved
0.6604 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6101 Approved
0.6602 Remote Similarity NPD4786 Approved
0.6569 Remote Similarity NPD4221 Approved
0.6569 Remote Similarity NPD4223 Phase 3
0.6542 Remote Similarity NPD5207 Approved
0.6538 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5208 Approved
0.6505 Remote Similarity NPD4788 Approved
0.65 Remote Similarity NPD5167 Approved
0.6486 Remote Similarity NPD7902 Approved
0.6476 Remote Similarity NPD3618 Phase 1
0.6429 Remote Similarity NPD7638 Approved
0.6422 Remote Similarity NPD5779 Approved
0.6422 Remote Similarity NPD5133 Approved
0.6422 Remote Similarity NPD5778 Approved
0.6408 Remote Similarity NPD3667 Approved
0.6408 Remote Similarity NPD5209 Approved
0.6406 Remote Similarity NPD6033 Approved
0.6389 Remote Similarity NPD7838 Discovery
0.6378 Remote Similarity NPD7507 Approved
0.6373 Remote Similarity NPD4695 Discontinued
0.6372 Remote Similarity NPD7639 Approved
0.6372 Remote Similarity NPD7640 Approved

Structure

External Identifiers

PubChem CID   56662974
ChEMBL   CHEMBL1801687
ZINC  

Physicochemical Properties

Molecular Weight:  376.22
ALogP:  0.8736
MLogP:  3.33
XLogP:  3.248
# Rotatable Bonds:  9
Polar Surface Area:  76.13
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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