Natural Product: NPC472307

Natural Product ID:  NPC472307
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O4
Standard InCHIKey:  DHNPDIUJAHKZCY-LOBZHTCKSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-18-8-4-9-19(2,17(22)23)14(18)6-5-12-13(18)7-10-20(3)15(21)11-24-16(12)20/h14-16,21H,4-11H2,1-3H3,(H,22,23)/t14-,15-,16+,18-,19+,20+/m0/s1
Canonical SMILES:  O[C@H]1CO[C@H]2[C@]1(C)CCC1=C2CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O
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
NPO29744 Acanthopanax gracilistylus NA NA NA Root barks PMID[25338180]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT927 Cell Line PBMC Homo sapiens IC50 > 10000 nM 24487187
NPT927 Cell Line PBMC Homo sapiens IC50 > 10000 nM 26510047
NPT927 Cell Line PBMC Homo sapiens IC50 = 1 nM 11754610

  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 NPC472307 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
0.8587 High Similarity NPC471720
0.8444 Intermediate Similarity NPC24816
0.8427 Intermediate Similarity NPC250981
0.8387 Intermediate Similarity NPC474554
0.8351 Intermediate Similarity NPC295791
0.828 Intermediate Similarity NPC271652
0.8265 Intermediate Similarity NPC324001
0.8265 Intermediate Similarity NPC159533
0.8222 Intermediate Similarity NPC322159
0.8211 Intermediate Similarity NPC17578
0.8211 Intermediate Similarity NPC240673
0.82 Intermediate Similarity NPC131665
0.82 Intermediate Similarity NPC255387
0.8191 Intermediate Similarity NPC184870
0.8191 Intermediate Similarity NPC474555
0.8182 Intermediate Similarity NPC258532
0.8182 Intermediate Similarity NPC296950
0.8182 Intermediate Similarity NPC146731
0.8152 Intermediate Similarity NPC5509
0.8144 Intermediate Similarity NPC474012
0.8144 Intermediate Similarity NPC476299
0.8132 Intermediate Similarity NPC171722
0.8125 Intermediate Similarity NPC224356
0.8125 Intermediate Similarity NPC132753
0.8125 Intermediate Similarity NPC151681
0.8125 Intermediate Similarity NPC121402
0.8125 Intermediate Similarity NPC175351
0.8111 Intermediate Similarity NPC52628
0.8105 Intermediate Similarity NPC30677
0.8105 Intermediate Similarity NPC183012
0.8105 Intermediate Similarity NPC37787
0.8105 Intermediate Similarity NPC473415
0.8105 Intermediate Similarity NPC469329
0.8105 Intermediate Similarity NPC180557
0.81 Intermediate Similarity NPC477125
0.8085 Intermediate Similarity NPC115021
0.8085 Intermediate Similarity NPC470254
0.8085 Intermediate Similarity NPC139692
0.8065 Intermediate Similarity NPC473269
0.8061 Intermediate Similarity NPC471075
0.8061 Intermediate Similarity NPC235142
0.8043 Intermediate Similarity NPC477128
0.8041 Intermediate Similarity NPC222303
0.8041 Intermediate Similarity NPC471784
0.8041 Intermediate Similarity NPC303777
0.8039 Intermediate Similarity NPC472216
0.8039 Intermediate Similarity NPC284828
0.8039 Intermediate Similarity NPC173905
0.8039 Intermediate Similarity NPC5475
0.8039 Intermediate Similarity NPC299590
0.8021 Intermediate Similarity NPC472362
0.8021 Intermediate Similarity NPC154526
0.8021 Intermediate Similarity NPC88009
0.8021 Intermediate Similarity NPC7124
0.8021 Intermediate Similarity NPC472363
0.802 Intermediate Similarity NPC301666
0.802 Intermediate Similarity NPC473173
0.802 Intermediate Similarity NPC469318
0.8 Intermediate Similarity NPC240617
0.8 Intermediate Similarity NPC473175
0.8 Intermediate Similarity NPC91010
0.798 Intermediate Similarity NPC80781
0.798 Intermediate Similarity NPC165250
0.798 Intermediate Similarity NPC469316
0.7979 Intermediate Similarity NPC303697
0.7979 Intermediate Similarity NPC107690
0.7979 Intermediate Similarity NPC186363
0.7979 Intermediate Similarity NPC477574
0.7979 Intermediate Similarity NPC233345
0.7961 Intermediate Similarity NPC29133
0.7961 Intermediate Similarity NPC5103
0.7961 Intermediate Similarity NPC235014
0.7957 Intermediate Similarity NPC168131
0.7957 Intermediate Similarity NPC174342
0.7957 Intermediate Similarity NPC474889
0.7957 Intermediate Similarity NPC20946
0.7938 Intermediate Similarity NPC121339
0.7938 Intermediate Similarity NPC210337
0.7935 Intermediate Similarity NPC312561
0.7921 Intermediate Similarity NPC173172
0.7921 Intermediate Similarity NPC475414
0.7895 Intermediate Similarity NPC141447
0.7895 Intermediate Similarity NPC169343
0.7895 Intermediate Similarity NPC27918
0.7889 Intermediate Similarity NPC470948
0.7885 Intermediate Similarity NPC470961
0.7879 Intermediate Similarity NPC244456
0.7879 Intermediate Similarity NPC473174
0.7879 Intermediate Similarity NPC469657
0.7879 Intermediate Similarity NPC303559
0.7872 Intermediate Similarity NPC175628
0.7872 Intermediate Similarity NPC212679
0.7872 Intermediate Similarity NPC20388
0.7872 Intermediate Similarity NPC220454
0.7872 Intermediate Similarity NPC281942
0.7872 Intermediate Similarity NPC477149
0.7872 Intermediate Similarity NPC289213
0.7872 Intermediate Similarity NPC469400
0.7872 Intermediate Similarity NPC477147
0.7872 Intermediate Similarity NPC232426
0.7872 Intermediate Similarity NPC469595
0.7872 Intermediate Similarity NPC198818
0.7872 Intermediate Similarity NPC111585
0.7872 Intermediate Similarity NPC148414
0.7872 Intermediate Similarity NPC113393
0.7872 Intermediate Similarity NPC15059
0.7865 Intermediate Similarity NPC14203
0.7865 Intermediate Similarity NPC229584
0.7864 Intermediate Similarity NPC472534
0.7864 Intermediate Similarity NPC143706
0.7857 Intermediate Similarity NPC159763
0.7857 Intermediate Similarity NPC278386
0.7857 Intermediate Similarity NPC234617
0.7857 Intermediate Similarity NPC216478
0.7857 Intermediate Similarity NPC124512
0.7857 Intermediate Similarity NPC124703
0.7849 Intermediate Similarity NPC307298
0.7849 Intermediate Similarity NPC226863
0.7849 Intermediate Similarity NPC242864
0.7849 Intermediate Similarity NPC277771
0.7849 Intermediate Similarity NPC477302
0.7843 Intermediate Similarity NPC230541
0.7843 Intermediate Similarity NPC187435
0.7843 Intermediate Similarity NPC475176
0.7843 Intermediate Similarity NPC112780
0.7843 Intermediate Similarity NPC67321
0.7835 Intermediate Similarity NPC230151
0.7835 Intermediate Similarity NPC476797
0.7835 Intermediate Similarity NPC134072
0.7835 Intermediate Similarity NPC3772
0.7835 Intermediate Similarity NPC471777
0.7835 Intermediate Similarity NPC234993
0.7835 Intermediate Similarity NPC242848
0.7835 Intermediate Similarity NPC120708
0.7835 Intermediate Similarity NPC328371
0.7826 Intermediate Similarity NPC73038
0.7826 Intermediate Similarity NPC6979
0.7826 Intermediate Similarity NPC474062
0.7826 Intermediate Similarity NPC28252
0.7826 Intermediate Similarity NPC55309
0.7826 Intermediate Similarity NPC473226
0.7826 Intermediate Similarity NPC325594
0.7826 Intermediate Similarity NPC82979
0.7826 Intermediate Similarity NPC324063
0.7822 Intermediate Similarity NPC471293
0.7816 Intermediate Similarity NPC316500
0.7812 Intermediate Similarity NPC318332
0.7812 Intermediate Similarity NPC250075
0.7812 Intermediate Similarity NPC469406
0.781 Intermediate Similarity NPC42658
0.781 Intermediate Similarity NPC269530
0.781 Intermediate Similarity NPC126691
0.781 Intermediate Similarity NPC191620
0.7802 Intermediate Similarity NPC171789
0.78 Intermediate Similarity NPC476890
0.78 Intermediate Similarity NPC31058
0.78 Intermediate Similarity NPC469606
0.78 Intermediate Similarity NPC273005
0.7789 Intermediate Similarity NPC49420
0.7789 Intermediate Similarity NPC189520
0.7789 Intermediate Similarity NPC72845
0.7789 Intermediate Similarity NPC472814
0.7789 Intermediate Similarity NPC177037
0.7789 Intermediate Similarity NPC473166
0.7789 Intermediate Similarity NPC141831
0.7789 Intermediate Similarity NPC26888
0.7789 Intermediate Similarity NPC297265
0.7789 Intermediate Similarity NPC252433
0.7789 Intermediate Similarity NPC150383
0.7788 Intermediate Similarity NPC37116
0.7778 Intermediate Similarity NPC230546
0.7778 Intermediate Similarity NPC198880
0.7778 Intermediate Similarity NPC117685
0.7778 Intermediate Similarity NPC73882
0.7778 Intermediate Similarity NPC473510
0.7778 Intermediate Similarity NPC473176
0.7778 Intermediate Similarity NPC167974
0.7778 Intermediate Similarity NPC188968
0.7778 Intermediate Similarity NPC307954
0.7767 Intermediate Similarity NPC469916
0.7767 Intermediate Similarity NPC472439
0.7767 Intermediate Similarity NPC306265
0.7766 Intermediate Similarity NPC218927
0.7766 Intermediate Similarity NPC475921
0.7766 Intermediate Similarity NPC474704
0.7766 Intermediate Similarity NPC215029
0.7766 Intermediate Similarity NPC214387
0.7766 Intermediate Similarity NPC476733
0.7766 Intermediate Similarity NPC253618
0.7766 Intermediate Similarity NPC206001
0.7766 Intermediate Similarity NPC77001
0.7755 Intermediate Similarity NPC53844
0.7755 Intermediate Similarity NPC73911
0.7755 Intermediate Similarity NPC91695
0.7755 Intermediate Similarity NPC475894
0.7755 Intermediate Similarity NPC70145
0.7755 Intermediate Similarity NPC106557
0.7755 Intermediate Similarity NPC18319
0.7755 Intermediate Similarity NPC253826
0.7753 Intermediate Similarity NPC195424

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472307 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
0.8039 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD4225 Approved
0.7619 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD6686 Approved
0.7527 Intermediate Similarity NPD1694 Approved
0.7523 Intermediate Similarity NPD7115 Discovery
0.75 Intermediate Similarity NPD7638 Approved
0.7426 Intermediate Similarity NPD7640 Approved
0.7426 Intermediate Similarity NPD7639 Approved
0.7391 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD5695 Phase 3
0.7358 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6399 Phase 3
0.7333 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD7632 Discontinued
0.7273 Intermediate Similarity NPD7748 Approved
0.7245 Intermediate Similarity NPD6411 Approved
0.7245 Intermediate Similarity NPD7515 Phase 2
0.7228 Intermediate Similarity NPD6083 Phase 2
0.7228 Intermediate Similarity NPD6084 Phase 2
0.7204 Intermediate Similarity NPD3667 Approved
0.7083 Intermediate Similarity NPD7146 Approved
0.7083 Intermediate Similarity NPD5330 Approved
0.7083 Intermediate Similarity NPD3618 Phase 1
0.7083 Intermediate Similarity NPD6409 Approved
0.7083 Intermediate Similarity NPD7334 Approved
0.7083 Intermediate Similarity NPD6684 Approved
0.7083 Intermediate Similarity NPD7521 Approved
0.7075 Intermediate Similarity NPD6675 Approved
0.7075 Intermediate Similarity NPD6402 Approved
0.7075 Intermediate Similarity NPD7128 Approved
0.7075 Intermediate Similarity NPD5739 Approved
0.7059 Intermediate Similarity NPD7902 Approved
0.7053 Intermediate Similarity NPD3666 Approved
0.7053 Intermediate Similarity NPD4786 Approved
0.7053 Intermediate Similarity NPD3133 Approved
0.7053 Intermediate Similarity NPD3665 Phase 1
0.7041 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6101 Approved
0.7009 Intermediate Similarity NPD6412 Phase 2
0.7009 Intermediate Similarity NPD5701 Approved
0.7009 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD5779 Approved
0.7 Intermediate Similarity NPD5778 Approved
0.7 Intermediate Similarity NPD8297 Approved
0.699 Remote Similarity NPD5696 Approved
0.6979 Remote Similarity NPD7520 Clinical (unspecified phase)
0.697 Remote Similarity NPD6698 Approved
0.697 Remote Similarity NPD46 Approved
0.6944 Remote Similarity NPD7320 Approved
0.6944 Remote Similarity NPD6899 Approved
0.6944 Remote Similarity NPD6881 Approved
0.6944 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6672 Approved
0.6939 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6903 Approved
0.6939 Remote Similarity NPD5737 Approved
0.6907 Remote Similarity NPD5279 Phase 3
0.69 Remote Similarity NPD8034 Phase 2
0.69 Remote Similarity NPD5693 Phase 1
0.69 Remote Similarity NPD8035 Phase 2
0.6881 Remote Similarity NPD6372 Approved
0.6881 Remote Similarity NPD6014 Approved
0.6881 Remote Similarity NPD6373 Approved
0.6881 Remote Similarity NPD6012 Approved
0.6881 Remote Similarity NPD6013 Approved
0.6869 Remote Similarity NPD4753 Phase 2
0.6869 Remote Similarity NPD6051 Approved
0.6869 Remote Similarity NPD5328 Approved
0.6864 Remote Similarity NPD7507 Approved
0.6818 Remote Similarity NPD7102 Approved
0.6818 Remote Similarity NPD6883 Approved
0.6818 Remote Similarity NPD7290 Approved
0.6789 Remote Similarity NPD6011 Approved
0.6786 Remote Similarity NPD8133 Approved
0.6786 Remote Similarity NPD4632 Approved
0.6774 Remote Similarity NPD3617 Approved
0.6765 Remote Similarity NPD7900 Approved
0.6765 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6617 Approved
0.6757 Remote Similarity NPD6869 Approved
0.6757 Remote Similarity NPD6649 Approved
0.6757 Remote Similarity NPD6847 Approved
0.6757 Remote Similarity NPD6650 Approved
0.6757 Remote Similarity NPD8130 Phase 1
0.6754 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6117 Approved
0.6737 Remote Similarity NPD4692 Approved
0.6737 Remote Similarity NPD4139 Approved
0.6733 Remote Similarity NPD6079 Approved
0.6733 Remote Similarity NPD5281 Approved
0.6733 Remote Similarity NPD5284 Approved
0.6731 Remote Similarity NPD4755 Approved
0.6724 Remote Similarity NPD6319 Approved
0.6701 Remote Similarity NPD3668 Phase 3
0.67 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6699 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6698 Remote Similarity NPD4159 Approved
0.6696 Remote Similarity NPD6053 Discontinued
0.6696 Remote Similarity NPD6882 Approved
0.6694 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD6116 Phase 1
0.6636 Remote Similarity NPD5211 Phase 2
0.6635 Remote Similarity NPD5221 Approved
0.6635 Remote Similarity NPD5222 Approved
0.6635 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6635 Remote Similarity NPD4697 Phase 3
0.6634 Remote Similarity NPD5207 Approved
0.6634 Remote Similarity NPD5692 Phase 3
0.663 Remote Similarity NPD8039 Approved
0.6607 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6607 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4700 Approved
0.6604 Remote Similarity NPD5286 Approved
0.6604 Remote Similarity NPD5285 Approved
0.6604 Remote Similarity NPD4696 Approved
0.6598 Remote Similarity NPD7154 Phase 3
0.6596 Remote Similarity NPD6118 Approved
0.6596 Remote Similarity NPD6114 Approved
0.6596 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6697 Approved
0.6596 Remote Similarity NPD6115 Approved
0.6571 Remote Similarity NPD5173 Approved
0.6569 Remote Similarity NPD7637 Suspended
0.6569 Remote Similarity NPD5694 Approved
0.6569 Remote Similarity NPD6050 Approved
0.6566 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6098 Approved
0.6566 Remote Similarity NPD4519 Discontinued
0.6566 Remote Similarity NPD4623 Approved
0.6552 Remote Similarity NPD7328 Approved
0.6552 Remote Similarity NPD7327 Approved
0.6538 Remote Similarity NPD5210 Approved
0.6538 Remote Similarity NPD4629 Approved
0.6535 Remote Similarity NPD6673 Approved
0.6535 Remote Similarity NPD6904 Approved
0.6535 Remote Similarity NPD6080 Approved
0.6531 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6526 Remote Similarity NPD7645 Phase 2
0.6525 Remote Similarity NPD7503 Approved
0.6525 Remote Similarity NPD8513 Phase 3
0.6525 Remote Similarity NPD8517 Approved
0.6525 Remote Similarity NPD8515 Approved
0.6525 Remote Similarity NPD8516 Approved
0.6522 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6274 Approved
0.6518 Remote Similarity NPD6371 Approved
0.6514 Remote Similarity NPD5141 Approved
0.65 Remote Similarity NPD7492 Approved
0.65 Remote Similarity NPD3573 Approved
0.6496 Remote Similarity NPD7516 Approved
0.6495 Remote Similarity NPD4223 Phase 3
0.6495 Remote Similarity NPD4221 Approved
0.6481 Remote Similarity NPD4633 Approved
0.6481 Remote Similarity NPD5224 Approved
0.6481 Remote Similarity NPD5225 Approved
0.6481 Remote Similarity NPD5226 Approved
0.6471 Remote Similarity NPD5785 Approved
0.6466 Remote Similarity NPD6009 Approved
0.6458 Remote Similarity NPD4695 Discontinued
0.6455 Remote Similarity NPD6008 Approved
0.6452 Remote Similarity NPD3702 Approved
0.6446 Remote Similarity NPD6616 Approved
0.6442 Remote Similarity NPD6001 Approved
0.6441 Remote Similarity NPD8377 Approved
0.6441 Remote Similarity NPD6054 Approved
0.6441 Remote Similarity NPD8294 Approved
0.6441 Remote Similarity NPD6059 Approved
0.6436 Remote Similarity NPD5208 Approved
0.6429 Remote Similarity NPD5362 Discontinued
0.6422 Remote Similarity NPD5175 Approved
0.6422 Remote Similarity NPD5174 Approved
0.6417 Remote Similarity NPD8328 Phase 3
0.6408 Remote Similarity NPD7983 Approved
0.64 Remote Similarity NPD5280 Approved
0.64 Remote Similarity NPD4694 Approved
0.64 Remote Similarity NPD6845 Suspended
0.64 Remote Similarity NPD5690 Phase 2
0.6396 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7078 Approved
0.6393 Remote Similarity NPD8293 Discontinued
0.6389 Remote Similarity NPD5344 Discontinued
0.6389 Remote Similarity NPD5223 Approved
0.6387 Remote Similarity NPD8379 Approved
0.6387 Remote Similarity NPD8033 Approved
0.6387 Remote Similarity NPD6015 Approved
0.6387 Remote Similarity NPD8335 Approved
0.6387 Remote Similarity NPD5983 Phase 2
0.6387 Remote Similarity NPD6016 Approved
0.6387 Remote Similarity NPD8380 Approved
0.6387 Remote Similarity NPD8296 Approved
0.6387 Remote Similarity NPD8378 Approved
0.6383 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5654 Approved
0.6379 Remote Similarity NPD6868 Approved
0.6372 Remote Similarity NPD4634 Approved
0.6364 Remote Similarity NPD4197 Approved
0.6356 Remote Similarity NPD7101 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3358078
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  0.0985
MLogP:  3.22
XLogP:  2.328
# Rotatable Bonds:  6
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  24

Download Data

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