Natural Product: NPC477437

Natural Product ID:  NPC477437
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H38O8
Standard InCHIKey:  SGWHOCKDQUUVNF-SDTSKVPRSA-N
Standard InCHI:  InChI=1S/C24H38O8/c1-14-17(7-9-22(4,30)11-12-25)23(5)10-8-18(28)24(6,13-31-15(2)26)21(23)20(19(14)29)32-16(3)27/h18,20-21,25,28,30H,7-13H2,1-6H3/t18-,20-,21-,22?,23-,24+/m1/s1
Canonical SMILES:  OCCC(CCC1=C(C)C(=O)[C@H]([C@@H]2[C@]1(C)CC[C@H]([C@]2(C)COC(=O)C)O)OC(=O)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
NPO33600 Leonurus macranthus Species Lamiaceae Eukaryota aerial parts Huanren, Liaoning Province, China 2013-AUG PMID[26348503]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition < 50 % 26348503

  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 NPC477437 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 NPC477438
0.9886 High Similarity NPC477439
0.9773 High Similarity NPC477435
0.9773 High Similarity NPC477436
0.875 High Similarity NPC472972
0.8673 High Similarity NPC70967
0.8673 High Similarity NPC33973
0.8617 High Similarity NPC212812
0.8602 High Similarity NPC248913
0.8586 High Similarity NPC135854
0.8586 High Similarity NPC470251
0.8586 High Similarity NPC2436
0.8586 High Similarity NPC216245
0.8469 Intermediate Similarity NPC124211
0.8438 Intermediate Similarity NPC96859
0.8438 Intermediate Similarity NPC305483
0.8438 Intermediate Similarity NPC328162
0.8416 Intermediate Similarity NPC44063
0.84 Intermediate Similarity NPC65523
0.8384 Intermediate Similarity NPC119601
0.8384 Intermediate Similarity NPC53222
0.8384 Intermediate Similarity NPC308726
0.8381 Intermediate Similarity NPC473798
0.8367 Intermediate Similarity NPC157787
0.8367 Intermediate Similarity NPC88198
0.8365 Intermediate Similarity NPC90769
0.8351 Intermediate Similarity NPC285513
0.8333 Intermediate Similarity NPC317586
0.8333 Intermediate Similarity NPC476479
0.8333 Intermediate Similarity NPC134067
0.8333 Intermediate Similarity NPC293850
0.8333 Intermediate Similarity NPC470016
0.8302 Intermediate Similarity NPC134869
0.8302 Intermediate Similarity NPC40632
0.8302 Intermediate Similarity NPC96312
0.8302 Intermediate Similarity NPC328374
0.8302 Intermediate Similarity NPC152199
0.8302 Intermediate Similarity NPC235539
0.8302 Intermediate Similarity NPC251236
0.83 Intermediate Similarity NPC179208
0.8283 Intermediate Similarity NPC302537
0.8283 Intermediate Similarity NPC469327
0.8283 Intermediate Similarity NPC163372
0.828 Intermediate Similarity NPC185059
0.828 Intermediate Similarity NPC475001
0.8252 Intermediate Similarity NPC2766
0.8252 Intermediate Similarity NPC286174
0.8252 Intermediate Similarity NPC77947
0.8229 Intermediate Similarity NPC166906
0.8229 Intermediate Similarity NPC169751
0.8229 Intermediate Similarity NPC272635
0.8229 Intermediate Similarity NPC240617
0.8218 Intermediate Similarity NPC118911
0.8211 Intermediate Similarity NPC235704
0.8211 Intermediate Similarity NPC99380
0.8208 Intermediate Similarity NPC18547
0.8208 Intermediate Similarity NPC474906
0.82 Intermediate Similarity NPC80781
0.819 Intermediate Similarity NPC474516
0.8173 Intermediate Similarity NPC129689
0.8173 Intermediate Similarity NPC473036
0.8173 Intermediate Similarity NPC272898
0.8163 Intermediate Similarity NPC254496
0.8163 Intermediate Similarity NPC216904
0.8163 Intermediate Similarity NPC43747
0.8155 Intermediate Similarity NPC94942
0.8148 Intermediate Similarity NPC297179
0.8144 Intermediate Similarity NPC139570
0.8137 Intermediate Similarity NPC472645
0.8137 Intermediate Similarity NPC181357
0.8132 Intermediate Similarity NPC64600
0.8131 Intermediate Similarity NPC16081
0.8131 Intermediate Similarity NPC173686
0.8125 Intermediate Similarity NPC109414
0.8119 Intermediate Similarity NPC275583
0.8113 Intermediate Similarity NPC49451
0.8113 Intermediate Similarity NPC198539
0.8113 Intermediate Similarity NPC7921
0.8113 Intermediate Similarity NPC208998
0.81 Intermediate Similarity NPC472643
0.8095 Intermediate Similarity NPC43775
0.8095 Intermediate Similarity NPC115303
0.8095 Intermediate Similarity NPC146945
0.8095 Intermediate Similarity NPC171888
0.8095 Intermediate Similarity NPC34315
0.8085 Intermediate Similarity NPC230387
0.8081 Intermediate Similarity NPC112753
0.8081 Intermediate Similarity NPC275439
0.8077 Intermediate Similarity NPC41405
0.8065 Intermediate Similarity NPC73038
0.8065 Intermediate Similarity NPC475181
0.8065 Intermediate Similarity NPC229717
0.8061 Intermediate Similarity NPC95565
0.8061 Intermediate Similarity NPC157113
0.8061 Intermediate Similarity NPC62516
0.8058 Intermediate Similarity NPC144854
0.8058 Intermediate Similarity NPC3316
0.8041 Intermediate Similarity NPC293086
0.8041 Intermediate Similarity NPC184870
0.8039 Intermediate Similarity NPC213366
0.8037 Intermediate Similarity NPC323821
0.8037 Intermediate Similarity NPC45218
0.8037 Intermediate Similarity NPC143268
0.8037 Intermediate Similarity NPC268238
0.802 Intermediate Similarity NPC295791
0.802 Intermediate Similarity NPC136289
0.8019 Intermediate Similarity NPC289312
0.8019 Intermediate Similarity NPC11252
0.8 Intermediate Similarity NPC316964
0.8 Intermediate Similarity NPC476274
0.8 Intermediate Similarity NPC472644
0.8 Intermediate Similarity NPC293890
0.8 Intermediate Similarity NPC198880
0.7982 Intermediate Similarity NPC17772
0.7981 Intermediate Similarity NPC469916
0.7981 Intermediate Similarity NPC322903
0.7981 Intermediate Similarity NPC154608
0.7981 Intermediate Similarity NPC472439
0.7981 Intermediate Similarity NPC192813
0.7981 Intermediate Similarity NPC277017
0.798 Intermediate Similarity NPC18509
0.798 Intermediate Similarity NPC175351
0.798 Intermediate Similarity NPC224356
0.798 Intermediate Similarity NPC18319
0.798 Intermediate Similarity NPC473456
0.798 Intermediate Similarity NPC121402
0.798 Intermediate Similarity NPC132753
0.798 Intermediate Similarity NPC151681
0.7963 Intermediate Similarity NPC270958
0.7961 Intermediate Similarity NPC111952
0.7961 Intermediate Similarity NPC51452
0.7961 Intermediate Similarity NPC475494
0.7961 Intermediate Similarity NPC1679
0.7959 Intermediate Similarity NPC255809
0.7959 Intermediate Similarity NPC469329
0.7959 Intermediate Similarity NPC37787
0.7959 Intermediate Similarity NPC473170
0.7959 Intermediate Similarity NPC473415
0.7959 Intermediate Similarity NPC180557
0.7959 Intermediate Similarity NPC30677
0.7957 Intermediate Similarity NPC197823
0.7944 Intermediate Similarity NPC472926
0.7944 Intermediate Similarity NPC159333
0.7944 Intermediate Similarity NPC25909
0.7944 Intermediate Similarity NPC194100
0.7944 Intermediate Similarity NPC202889
0.7941 Intermediate Similarity NPC264048
0.7941 Intermediate Similarity NPC251017
0.7941 Intermediate Similarity NPC90177
0.7938 Intermediate Similarity NPC295643
0.7938 Intermediate Similarity NPC214756
0.7938 Intermediate Similarity NPC271652
0.7938 Intermediate Similarity NPC272075
0.7938 Intermediate Similarity NPC79117
0.7925 Intermediate Similarity NPC201992
0.7921 Intermediate Similarity NPC224720
0.7921 Intermediate Similarity NPC476240
0.7921 Intermediate Similarity NPC476223
0.7921 Intermediate Similarity NPC115862
0.7921 Intermediate Similarity NPC118964
0.7921 Intermediate Similarity NPC81530
0.7917 Intermediate Similarity NPC134321
0.7917 Intermediate Similarity NPC128672
0.7917 Intermediate Similarity NPC20388
0.7912 Intermediate Similarity NPC473420
0.7909 Intermediate Similarity NPC470777
0.7909 Intermediate Similarity NPC472933
0.7905 Intermediate Similarity NPC27814
0.79 Intermediate Similarity NPC478056
0.79 Intermediate Similarity NPC260149
0.79 Intermediate Similarity NPC58942
0.7895 Intermediate Similarity NPC473229
0.789 Intermediate Similarity NPC97908
0.789 Intermediate Similarity NPC122033
0.789 Intermediate Similarity NPC471854
0.789 Intermediate Similarity NPC309433
0.789 Intermediate Similarity NPC470854
0.789 Intermediate Similarity NPC474654
0.789 Intermediate Similarity NPC287343
0.7885 Intermediate Similarity NPC475294
0.7885 Intermediate Similarity NPC202524
0.7885 Intermediate Similarity NPC471783
0.7885 Intermediate Similarity NPC112780
0.7885 Intermediate Similarity NPC9457
0.7885 Intermediate Similarity NPC143609
0.7879 Intermediate Similarity NPC476318
0.7879 Intermediate Similarity NPC219353
0.7879 Intermediate Similarity NPC471822
0.7879 Intermediate Similarity NPC327179
0.7879 Intermediate Similarity NPC476327
0.7879 Intermediate Similarity NPC154526
0.7879 Intermediate Similarity NPC7124
0.7879 Intermediate Similarity NPC472362
0.7879 Intermediate Similarity NPC471777
0.7879 Intermediate Similarity NPC472363
0.7879 Intermediate Similarity NPC98874
0.7879 Intermediate Similarity NPC328371
0.7872 Intermediate Similarity NPC56588
0.7872 Intermediate Similarity NPC473226
0.7872 Intermediate Similarity NPC202394

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477437 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
0.8687 High Similarity NPD6402 Approved
0.8687 High Similarity NPD6675 Approved
0.8687 High Similarity NPD5739 Approved
0.8687 High Similarity NPD7128 Approved
0.8614 High Similarity NPD6372 Approved
0.8614 High Similarity NPD6373 Approved
0.8515 High Similarity NPD6881 Approved
0.8515 High Similarity NPD6899 Approved
0.8515 High Similarity NPD7320 Approved
0.8447 Intermediate Similarity NPD6649 Approved
0.8447 Intermediate Similarity NPD6650 Approved
0.8416 Intermediate Similarity NPD5697 Approved
0.8416 Intermediate Similarity NPD5701 Approved
0.8365 Intermediate Similarity NPD8297 Approved
0.8365 Intermediate Similarity NPD6882 Approved
0.835 Intermediate Similarity NPD7102 Approved
0.835 Intermediate Similarity NPD7290 Approved
0.835 Intermediate Similarity NPD6883 Approved
0.8269 Intermediate Similarity NPD6847 Approved
0.8269 Intermediate Similarity NPD8130 Phase 1
0.8269 Intermediate Similarity NPD6869 Approved
0.8269 Intermediate Similarity NPD6617 Approved
0.8252 Intermediate Similarity NPD6014 Approved
0.8252 Intermediate Similarity NPD6012 Approved
0.8252 Intermediate Similarity NPD6013 Approved
0.8155 Intermediate Similarity NPD6011 Approved
0.8095 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD6084 Phase 2
0.798 Intermediate Similarity NPD4755 Approved
0.798 Intermediate Similarity NPD6083 Phase 2
0.7857 Intermediate Similarity NPD7748 Approved
0.7835 Intermediate Similarity NPD7515 Phase 2
0.7822 Intermediate Similarity NPD5286 Approved
0.7822 Intermediate Similarity NPD4700 Approved
0.7822 Intermediate Similarity NPD4696 Approved
0.7822 Intermediate Similarity NPD5285 Approved
0.78 Intermediate Similarity NPD7902 Approved
0.7798 Intermediate Similarity NPD6274 Approved
0.7778 Intermediate Similarity NPD5695 Phase 3
0.7748 Intermediate Similarity NPD7100 Approved
0.7748 Intermediate Similarity NPD7101 Approved
0.7679 Intermediate Similarity NPD6319 Approved
0.767 Intermediate Similarity NPD5225 Approved
0.767 Intermediate Similarity NPD5211 Phase 2
0.767 Intermediate Similarity NPD4633 Approved
0.767 Intermediate Similarity NPD5224 Approved
0.767 Intermediate Similarity NPD5226 Approved
0.7658 Intermediate Similarity NPD6335 Approved
0.7629 Intermediate Similarity NPD5328 Approved
0.7619 Intermediate Similarity NPD4768 Approved
0.7619 Intermediate Similarity NPD4767 Approved
0.7611 Intermediate Similarity NPD6909 Approved
0.7611 Intermediate Similarity NPD6908 Approved
0.7596 Intermediate Similarity NPD5174 Approved
0.7596 Intermediate Similarity NPD5175 Approved
0.7576 Intermediate Similarity NPD6399 Phase 3
0.7573 Intermediate Similarity NPD5223 Approved
0.7568 Intermediate Similarity NPD6317 Approved
0.7568 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD5696 Approved
0.7526 Intermediate Similarity NPD6672 Approved
0.7526 Intermediate Similarity NPD5737 Approved
0.7525 Intermediate Similarity NPD4697 Phase 3
0.7525 Intermediate Similarity NPD5221 Approved
0.7525 Intermediate Similarity NPD5222 Approved
0.7525 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD5141 Approved
0.75 Intermediate Similarity NPD6313 Approved
0.75 Intermediate Similarity NPD7900 Approved
0.75 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6314 Approved
0.7478 Intermediate Similarity NPD8328 Phase 3
0.7477 Intermediate Similarity NPD4729 Approved
0.7477 Intermediate Similarity NPD6868 Approved
0.7477 Intermediate Similarity NPD4730 Approved
0.7475 Intermediate Similarity NPD6079 Approved
0.7475 Intermediate Similarity NPD6411 Approved
0.7455 Intermediate Similarity NPD4632 Approved
0.7451 Intermediate Similarity NPD5173 Approved
0.7429 Intermediate Similarity NPD4754 Approved
0.7423 Intermediate Similarity NPD3573 Approved
0.7414 Intermediate Similarity NPD7492 Approved
0.7411 Intermediate Similarity NPD6009 Approved
0.7368 Intermediate Similarity NPD6054 Approved
0.7368 Intermediate Similarity NPD6059 Approved
0.735 Intermediate Similarity NPD6616 Approved
0.7339 Intermediate Similarity NPD5251 Approved
0.7339 Intermediate Similarity NPD5249 Phase 3
0.7339 Intermediate Similarity NPD5250 Approved
0.7339 Intermediate Similarity NPD5247 Approved
0.7339 Intermediate Similarity NPD5248 Approved
0.7328 Intermediate Similarity NPD7604 Phase 2
0.732 Intermediate Similarity NPD3618 Phase 1
0.7315 Intermediate Similarity NPD5128 Approved
0.7304 Intermediate Similarity NPD5983 Phase 2
0.729 Intermediate Similarity NPD6008 Approved
0.7288 Intermediate Similarity NPD7078 Approved
0.7288 Intermediate Similarity NPD8293 Discontinued
0.7273 Intermediate Similarity NPD6080 Approved
0.7273 Intermediate Similarity NPD6673 Approved
0.7273 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4753 Phase 2
0.7273 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6101 Approved
0.7273 Intermediate Similarity NPD6904 Approved
0.7248 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6370 Approved
0.7228 Intermediate Similarity NPD4202 Approved
0.7227 Intermediate Similarity NPD7736 Approved
0.7203 Intermediate Similarity NPD6336 Discontinued
0.7182 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD4634 Approved
0.7156 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD6015 Approved
0.7155 Intermediate Similarity NPD6016 Approved
0.7155 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7521 Approved
0.7143 Intermediate Similarity NPD7334 Approved
0.7143 Intermediate Similarity NPD6684 Approved
0.7143 Intermediate Similarity NPD7146 Approved
0.7143 Intermediate Similarity NPD6409 Approved
0.7143 Intermediate Similarity NPD5330 Approved
0.7129 Intermediate Similarity NPD6050 Approved
0.7117 Intermediate Similarity NPD5217 Approved
0.7117 Intermediate Similarity NPD5216 Approved
0.7117 Intermediate Similarity NPD5215 Approved
0.7113 Intermediate Similarity NPD4786 Approved
0.7105 Intermediate Similarity NPD7115 Discovery
0.7094 Intermediate Similarity NPD5988 Approved
0.7083 Intermediate Similarity NPD3667 Approved
0.7059 Intermediate Similarity NPD5779 Approved
0.7059 Intermediate Similarity NPD5778 Approved
0.7053 Intermediate Similarity NPD4695 Discontinued
0.7048 Intermediate Similarity NPD7638 Approved
0.703 Intermediate Similarity NPD5692 Phase 3
0.7027 Intermediate Similarity NPD5135 Approved
0.7027 Intermediate Similarity NPD5169 Approved
0.7027 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3617 Approved
0.7 Intermediate Similarity NPD6903 Approved
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7640 Approved
0.6981 Remote Similarity NPD7639 Approved
0.697 Remote Similarity NPD6098 Approved
0.697 Remote Similarity NPD5279 Phase 3
0.6964 Remote Similarity NPD5127 Approved
0.6961 Remote Similarity NPD8034 Phase 2
0.6961 Remote Similarity NPD5693 Phase 1
0.6961 Remote Similarity NPD5694 Approved
0.6961 Remote Similarity NPD8035 Phase 2
0.6939 Remote Similarity NPD3133 Approved
0.6939 Remote Similarity NPD3666 Approved
0.6939 Remote Similarity NPD3665 Phase 1
0.6923 Remote Similarity NPD5210 Approved
0.6923 Remote Similarity NPD4629 Approved
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6887 Remote Similarity NPD4225 Approved
0.6875 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6869 Remote Similarity NPD1694 Approved
0.6869 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6869 Remote Similarity NPD5329 Approved
0.6852 Remote Similarity NPD7632 Discontinued
0.6847 Remote Similarity NPD5168 Approved
0.6818 Remote Similarity NPD7341 Phase 2
0.6803 Remote Similarity NPD6033 Approved
0.68 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5284 Approved
0.6796 Remote Similarity NPD5281 Approved
0.6783 Remote Similarity NPD5167 Approved
0.6777 Remote Similarity NPD7507 Approved
0.6768 Remote Similarity NPD4197 Approved
0.6762 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6762 Remote Similarity NPD5654 Approved
0.6757 Remote Similarity NPD6412 Phase 2
0.6754 Remote Similarity NPD6053 Discontinued
0.6737 Remote Similarity NPD6116 Phase 1
0.6735 Remote Similarity NPD6435 Approved
0.67 Remote Similarity NPD1696 Phase 3
0.6696 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6636 Remote Similarity NPD5959 Approved
0.6634 Remote Similarity NPD5280 Approved
0.6634 Remote Similarity NPD5690 Phase 2
0.6634 Remote Similarity NPD4694 Approved
0.6632 Remote Similarity NPD6117 Approved
0.6613 Remote Similarity NPD7319 Approved
0.66 Remote Similarity NPD3668 Phase 3
0.6598 Remote Similarity NPD7645 Phase 2
0.6583 Remote Similarity NPD6921 Approved
0.6566 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6566 Remote Similarity NPD4223 Phase 3
0.6566 Remote Similarity NPD4221 Approved
0.6556 Remote Similarity NPD3704 Approved
0.6542 Remote Similarity NPD7614 Phase 1
0.6538 Remote Similarity NPD46 Approved
0.6538 Remote Similarity NPD6698 Approved
0.6531 Remote Similarity NPD5368 Approved
0.6531 Remote Similarity NPD7525 Registered

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3608608
ZINC  

Physicochemical Properties

Molecular Weight:  454.26
ALogP:  -0.9003
MLogP:  3.22
XLogP:  0.833
# Rotatable Bonds:  19
Polar Surface Area:  130.36
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  32

Download Data

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