Natural Product: NPC472637

Natural Product ID:  NPC472637
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26O4
Standard InCHIKey:  FYYHBXSBPSRDEA-MRQYSOIQSA-N
Standard InCHI:  InChI=1S/C20H26O4/c1-10(2)12-5-13-14-6-15-19(3,4)7-11(21)8-20(15,9-24-14)16(13)18(23)17(12)22/h5,10-11,14-15,21H,6-9H2,1-4H3/t11-,14-,15-,20+/m0/s1
Canonical SMILES:  O[C@H]1CC(C)(C)[C@H]2[C@@]3(C1)CO[C@@H](C2)C1=C3C(=O)C(=O)C(=C1)C(C)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
NPO1371 Teucrium viscidum Species Lamiaceae Eukaryota PMID[25739048]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10000 nM 25871540
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 7300 nM 11720542
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 11720542
NPT2 Others Unspecified IC50 > 10000 nM 19113968
NPT2 Others Unspecified IC50 > 1000000 nM 23398362
NPT165 Cell Line HeLa Homo sapiens IC50 > 10000 nM 23398362

  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 NPC472637 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
0.8812 High Similarity NPC469607
0.8812 High Similarity NPC478052
0.8586 High Similarity NPC478056
0.8542 High Similarity NPC472975
0.8515 High Similarity NPC31058
0.8515 High Similarity NPC469606
0.8515 High Similarity NPC273005
0.8469 Intermediate Similarity NPC316215
0.8462 Intermediate Similarity NPC275539
0.8462 Intermediate Similarity NPC189075
0.8431 Intermediate Similarity NPC473624
0.8416 Intermediate Similarity NPC81530
0.8365 Intermediate Similarity NPC110496
0.8351 Intermediate Similarity NPC99380
0.835 Intermediate Similarity NPC118911
0.8333 Intermediate Similarity NPC136289
0.8317 Intermediate Similarity NPC474012
0.8317 Intermediate Similarity NPC476299
0.83 Intermediate Similarity NPC170131
0.83 Intermediate Similarity NPC474343
0.8283 Intermediate Similarity NPC183012
0.8269 Intermediate Similarity NPC478208
0.8265 Intermediate Similarity NPC134826
0.8247 Intermediate Similarity NPC128672
0.8247 Intermediate Similarity NPC134321
0.8241 Intermediate Similarity NPC25909
0.8241 Intermediate Similarity NPC471204
0.8224 Intermediate Similarity NPC188738
0.8224 Intermediate Similarity NPC474315
0.8211 Intermediate Similarity NPC472974
0.8208 Intermediate Similarity NPC228477
0.8208 Intermediate Similarity NPC137911
0.82 Intermediate Similarity NPC117133
0.8182 Intermediate Similarity NPC472976
0.8182 Intermediate Similarity NPC477130
0.8182 Intermediate Similarity NPC196227
0.8182 Intermediate Similarity NPC477129
0.8182 Intermediate Similarity NPC472977
0.8163 Intermediate Similarity NPC233345
0.8163 Intermediate Similarity NPC472978
0.8163 Intermediate Similarity NPC186363
0.8155 Intermediate Similarity NPC235369
0.8148 Intermediate Similarity NPC12046
0.8148 Intermediate Similarity NPC194951
0.8144 Intermediate Similarity NPC472983
0.8144 Intermediate Similarity NPC472973
0.8137 Intermediate Similarity NPC117685
0.8137 Intermediate Similarity NPC476274
0.8131 Intermediate Similarity NPC286880
0.8131 Intermediate Similarity NPC37116
0.8119 Intermediate Similarity NPC151681
0.8119 Intermediate Similarity NPC121402
0.8119 Intermediate Similarity NPC175351
0.8119 Intermediate Similarity NPC38530
0.8119 Intermediate Similarity NPC224356
0.8119 Intermediate Similarity NPC132753
0.8119 Intermediate Similarity NPC285513
0.8119 Intermediate Similarity NPC254496
0.8119 Intermediate Similarity NPC84335
0.8113 Intermediate Similarity NPC177064
0.8113 Intermediate Similarity NPC476802
0.8113 Intermediate Similarity NPC89171
0.8095 Intermediate Similarity NPC60681
0.8095 Intermediate Similarity NPC266570
0.8091 Intermediate Similarity NPC64318
0.8081 Intermediate Similarity NPC69454
0.8077 Intermediate Similarity NPC476848
0.8077 Intermediate Similarity NPC254202
0.8073 Intermediate Similarity NPC157441
0.8061 Intermediate Similarity NPC152467
0.8061 Intermediate Similarity NPC220454
0.8061 Intermediate Similarity NPC212679
0.8061 Intermediate Similarity NPC469595
0.8058 Intermediate Similarity NPC476240
0.8058 Intermediate Similarity NPC476223
0.8058 Intermediate Similarity NPC469657
0.8058 Intermediate Similarity NPC244456
0.8058 Intermediate Similarity NPC224720
0.8041 Intermediate Similarity NPC24816
0.8039 Intermediate Similarity NPC57079
0.8039 Intermediate Similarity NPC471717
0.8039 Intermediate Similarity NPC92275
0.8039 Intermediate Similarity NPC108368
0.8039 Intermediate Similarity NPC316598
0.8037 Intermediate Similarity NPC478210
0.802 Intermediate Similarity NPC469545
0.802 Intermediate Similarity NPC61369
0.802 Intermediate Similarity NPC154526
0.802 Intermediate Similarity NPC472363
0.802 Intermediate Similarity NPC472362
0.802 Intermediate Similarity NPC249954
0.802 Intermediate Similarity NPC5532
0.8019 Intermediate Similarity NPC91034
0.8019 Intermediate Similarity NPC133422
0.8018 Intermediate Similarity NPC474518
0.8018 Intermediate Similarity NPC98249
0.8018 Intermediate Similarity NPC53396
0.8 Intermediate Similarity NPC470697
0.8 Intermediate Similarity NPC38830
0.8 Intermediate Similarity NPC23170
0.8 Intermediate Similarity NPC476415
0.8 Intermediate Similarity NPC474328
0.7982 Intermediate Similarity NPC277769
0.7981 Intermediate Similarity NPC473424
0.7981 Intermediate Similarity NPC185530
0.7981 Intermediate Similarity NPC114540
0.7981 Intermediate Similarity NPC155332
0.7981 Intermediate Similarity NPC32577
0.7981 Intermediate Similarity NPC80781
0.798 Intermediate Similarity NPC116726
0.798 Intermediate Similarity NPC63748
0.7963 Intermediate Similarity NPC473627
0.7963 Intermediate Similarity NPC478211
0.7963 Intermediate Similarity NPC210005
0.7963 Intermediate Similarity NPC478209
0.7961 Intermediate Similarity NPC472644
0.7959 Intermediate Similarity NPC210216
0.7959 Intermediate Similarity NPC284561
0.7959 Intermediate Similarity NPC275740
0.7959 Intermediate Similarity NPC5509
0.7959 Intermediate Similarity NPC86319
0.7959 Intermediate Similarity NPC119416
0.7946 Intermediate Similarity NPC186525
0.7946 Intermediate Similarity NPC284707
0.7944 Intermediate Similarity NPC476479
0.7941 Intermediate Similarity NPC253826
0.7928 Intermediate Similarity NPC190286
0.7928 Intermediate Similarity NPC176840
0.7925 Intermediate Similarity NPC85529
0.7925 Intermediate Similarity NPC32006
0.7925 Intermediate Similarity NPC477125
0.7925 Intermediate Similarity NPC1679
0.7925 Intermediate Similarity NPC189863
0.7921 Intermediate Similarity NPC134067
0.7921 Intermediate Similarity NPC259286
0.7921 Intermediate Similarity NPC127063
0.7921 Intermediate Similarity NPC470016
0.7921 Intermediate Similarity NPC139570
0.7921 Intermediate Similarity NPC317586
0.7917 Intermediate Similarity NPC32037
0.7917 Intermediate Similarity NPC476426
0.7909 Intermediate Similarity NPC122056
0.7905 Intermediate Similarity NPC95899
0.7905 Intermediate Similarity NPC275583
0.7905 Intermediate Similarity NPC282233
0.7905 Intermediate Similarity NPC236390
0.7905 Intermediate Similarity NPC159442
0.7905 Intermediate Similarity NPC478057
0.7905 Intermediate Similarity NPC476889
0.7905 Intermediate Similarity NPC95585
0.7905 Intermediate Similarity NPC26478
0.7905 Intermediate Similarity NPC90177
0.79 Intermediate Similarity NPC211230
0.79 Intermediate Similarity NPC472930
0.79 Intermediate Similarity NPC139692
0.7895 Intermediate Similarity NPC105173
0.7895 Intermediate Similarity NPC64600
0.789 Intermediate Similarity NPC97939
0.789 Intermediate Similarity NPC247031
0.789 Intermediate Similarity NPC100329
0.789 Intermediate Similarity NPC132790
0.7885 Intermediate Similarity NPC115862
0.7885 Intermediate Similarity NPC472643
0.7885 Intermediate Similarity NPC471412
0.7879 Intermediate Similarity NPC212369
0.7879 Intermediate Similarity NPC221111
0.7879 Intermediate Similarity NPC280149
0.7879 Intermediate Similarity NPC469372
0.7879 Intermediate Similarity NPC113393
0.7876 Intermediate Similarity NPC270850
0.7876 Intermediate Similarity NPC475041
0.7876 Intermediate Similarity NPC305260
0.7872 Intermediate Similarity NPC121984
0.7872 Intermediate Similarity NPC6663
0.7864 Intermediate Similarity NPC222011
0.7864 Intermediate Similarity NPC103051
0.7864 Intermediate Similarity NPC23364
0.7864 Intermediate Similarity NPC176845
0.7864 Intermediate Similarity NPC216478
0.7857 Intermediate Similarity NPC131470
0.7857 Intermediate Similarity NPC470524
0.7857 Intermediate Similarity NPC277771
0.7857 Intermediate Similarity NPC478261
0.7857 Intermediate Similarity NPC307298
0.7857 Intermediate Similarity NPC328539
0.7857 Intermediate Similarity NPC206060
0.7857 Intermediate Similarity NPC478260
0.7857 Intermediate Similarity NPC474925
0.7857 Intermediate Similarity NPC143767
0.7857 Intermediate Similarity NPC471722
0.7857 Intermediate Similarity NPC472802
0.7857 Intermediate Similarity NPC478259
0.7857 Intermediate Similarity NPC473229
0.7857 Intermediate Similarity NPC158778
0.785 Intermediate Similarity NPC144459
0.785 Intermediate Similarity NPC475294
0.7843 Intermediate Similarity NPC202833
0.7843 Intermediate Similarity NPC473158
0.7843 Intermediate Similarity NPC78473
0.7843 Intermediate Similarity NPC328371

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472637 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
0.7835 Intermediate Similarity NPD3618 Phase 1
0.78 Intermediate Similarity NPD6079 Approved
0.7778 Intermediate Similarity NPD5328 Approved
0.7767 Intermediate Similarity NPD7902 Approved
0.7699 Intermediate Similarity NPD7115 Discovery
0.767 Intermediate Similarity NPD5221 Approved
0.767 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD4697 Phase 3
0.767 Intermediate Similarity NPD5222 Approved
0.7647 Intermediate Similarity NPD7748 Approved
0.7642 Intermediate Similarity NPD5211 Phase 2
0.7624 Intermediate Similarity NPD7515 Phase 2
0.7619 Intermediate Similarity NPD5285 Approved
0.7619 Intermediate Similarity NPD5286 Approved
0.7619 Intermediate Similarity NPD4696 Approved
0.7596 Intermediate Similarity NPD5173 Approved
0.7596 Intermediate Similarity NPD4755 Approved
0.7547 Intermediate Similarity NPD5223 Approved
0.7523 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD5141 Approved
0.7477 Intermediate Similarity NPD5226 Approved
0.7477 Intermediate Similarity NPD5224 Approved
0.7477 Intermediate Similarity NPD4633 Approved
0.7477 Intermediate Similarity NPD5225 Approved
0.7476 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD7900 Approved
0.7475 Intermediate Similarity NPD5279 Phase 3
0.7455 Intermediate Similarity NPD6011 Approved
0.7455 Intermediate Similarity NPD6899 Approved
0.7455 Intermediate Similarity NPD6881 Approved
0.7453 Intermediate Similarity NPD4700 Approved
0.7451 Intermediate Similarity NPD6411 Approved
0.7431 Intermediate Similarity NPD6402 Approved
0.7431 Intermediate Similarity NPD5739 Approved
0.7431 Intermediate Similarity NPD6675 Approved
0.7431 Intermediate Similarity NPD7128 Approved
0.7423 Intermediate Similarity NPD3667 Approved
0.7411 Intermediate Similarity NPD6650 Approved
0.7411 Intermediate Similarity NPD6649 Approved
0.7407 Intermediate Similarity NPD5175 Approved
0.7407 Intermediate Similarity NPD5174 Approved
0.74 Intermediate Similarity NPD3573 Approved
0.7387 Intermediate Similarity NPD6373 Approved
0.7387 Intermediate Similarity NPD6012 Approved
0.7387 Intermediate Similarity NPD6372 Approved
0.7387 Intermediate Similarity NPD6014 Approved
0.7387 Intermediate Similarity NPD6013 Approved
0.7379 Intermediate Similarity NPD4202 Approved
0.7379 Intermediate Similarity NPD6399 Phase 3
0.7374 Intermediate Similarity NPD1694 Approved
0.7364 Intermediate Similarity NPD5701 Approved
0.7358 Intermediate Similarity NPD7638 Approved
0.7358 Intermediate Similarity NPD4225 Approved
0.7321 Intermediate Similarity NPD7102 Approved
0.7321 Intermediate Similarity NPD7290 Approved
0.7321 Intermediate Similarity NPD6883 Approved
0.7297 Intermediate Similarity NPD7320 Approved
0.729 Intermediate Similarity NPD7640 Approved
0.729 Intermediate Similarity NPD7639 Approved
0.7273 Intermediate Similarity NPD3666 Approved
0.7273 Intermediate Similarity NPD3133 Approved
0.7273 Intermediate Similarity NPD4786 Approved
0.7273 Intermediate Similarity NPD3665 Phase 1
0.7257 Intermediate Similarity NPD6617 Approved
0.7257 Intermediate Similarity NPD8130 Phase 1
0.7257 Intermediate Similarity NPD6869 Approved
0.7257 Intermediate Similarity NPD6847 Approved
0.7255 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6101 Approved
0.7248 Intermediate Similarity NPD4754 Approved
0.7216 Intermediate Similarity NPD4695 Discontinued
0.7212 Intermediate Similarity NPD5779 Approved
0.7212 Intermediate Similarity NPD5778 Approved
0.7193 Intermediate Similarity NPD8297 Approved
0.7193 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD5128 Approved
0.7143 Intermediate Similarity NPD4730 Approved
0.7143 Intermediate Similarity NPD4729 Approved
0.7129 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4768 Approved
0.7117 Intermediate Similarity NPD4767 Approved
0.7117 Intermediate Similarity NPD6008 Approved
0.7115 Intermediate Similarity NPD5284 Approved
0.7115 Intermediate Similarity NPD5281 Approved
0.7105 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD1696 Phase 3
0.7018 Intermediate Similarity NPD5169 Approved
0.7018 Intermediate Similarity NPD5249 Phase 3
0.7018 Intermediate Similarity NPD5250 Approved
0.7018 Intermediate Similarity NPD5251 Approved
0.7018 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD5247 Approved
0.7018 Intermediate Similarity NPD4634 Approved
0.7018 Intermediate Similarity NPD5135 Approved
0.7018 Intermediate Similarity NPD5248 Approved
0.7009 Intermediate Similarity NPD6274 Approved
0.6991 Remote Similarity NPD5168 Approved
0.6983 Remote Similarity NPD4632 Approved
0.6961 Remote Similarity NPD5280 Approved
0.6961 Remote Similarity NPD4694 Approved
0.6957 Remote Similarity NPD5127 Approved
0.6957 Remote Similarity NPD5215 Approved
0.6957 Remote Similarity NPD5216 Approved
0.6957 Remote Similarity NPD5217 Approved
0.6949 Remote Similarity NPD6317 Approved
0.6931 Remote Similarity NPD3668 Phase 3
0.693 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4753 Phase 2
0.6916 Remote Similarity NPD4629 Approved
0.6916 Remote Similarity NPD5210 Approved
0.6916 Remote Similarity NPD5695 Phase 3
0.6905 Remote Similarity NPD7260 Phase 2
0.6897 Remote Similarity NPD6053 Discontinued
0.6891 Remote Similarity NPD6335 Approved
0.6891 Remote Similarity NPD6314 Approved
0.6891 Remote Similarity NPD6313 Approved
0.687 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6868 Approved
0.686 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6686 Approved
0.6833 Remote Similarity NPD7101 Approved
0.6833 Remote Similarity NPD7100 Approved
0.6827 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6009 Approved
0.6796 Remote Similarity NPD4519 Discontinued
0.6796 Remote Similarity NPD5690 Phase 2
0.6796 Remote Similarity NPD7334 Approved
0.6796 Remote Similarity NPD7146 Approved
0.6796 Remote Similarity NPD6684 Approved
0.6796 Remote Similarity NPD5330 Approved
0.6796 Remote Similarity NPD7521 Approved
0.6796 Remote Similarity NPD6409 Approved
0.6796 Remote Similarity NPD4623 Approved
0.6792 Remote Similarity NPD8034 Phase 2
0.6792 Remote Similarity NPD8035 Phase 2
0.6789 Remote Similarity NPD6084 Phase 2
0.6789 Remote Similarity NPD6083 Phase 2
0.678 Remote Similarity NPD5167 Approved
0.6777 Remote Similarity NPD6319 Approved
0.6777 Remote Similarity NPD6054 Approved
0.6774 Remote Similarity NPD7507 Approved
0.6768 Remote Similarity NPD7645 Phase 2
0.6754 Remote Similarity NPD6412 Phase 2
0.6748 Remote Similarity NPD8328 Phase 3
0.6733 Remote Similarity NPD4221 Approved
0.6733 Remote Similarity NPD4223 Phase 3
0.6727 Remote Similarity NPD5696 Approved
0.6721 Remote Similarity NPD6015 Approved
0.6721 Remote Similarity NPD5983 Phase 2
0.6721 Remote Similarity NPD8513 Phase 3
0.6721 Remote Similarity NPD6016 Approved
0.6701 Remote Similarity NPD8264 Approved
0.6698 Remote Similarity NPD5692 Phase 3
0.6698 Remote Similarity NPD5207 Approved
0.6698 Remote Similarity NPD5785 Approved
0.6696 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD6370 Approved
0.6639 Remote Similarity NPD6059 Approved
0.6638 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5693 Phase 1
0.6636 Remote Similarity NPD5694 Approved
0.6636 Remote Similarity NPD6050 Approved
0.6614 Remote Similarity NPD7319 Approved
0.6613 Remote Similarity NPD7604 Phase 2
0.6609 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6602 Remote Similarity NPD4197 Approved
0.6589 Remote Similarity NPD6845 Suspended
0.6585 Remote Similarity NPD8516 Approved
0.6585 Remote Similarity NPD8515 Approved
0.6585 Remote Similarity NPD8517 Approved
0.6585 Remote Similarity NPD7503 Approved
0.6585 Remote Similarity NPD6908 Approved
0.6585 Remote Similarity NPD6909 Approved
0.656 Remote Similarity NPD7492 Approved
0.6545 Remote Similarity NPD7614 Phase 1
0.6542 Remote Similarity NPD4096 Approved
0.6538 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5329 Approved
0.6535 Remote Similarity NPD7525 Registered
0.6535 Remote Similarity NPD7736 Approved
0.6509 Remote Similarity NPD4518 Approved
0.6508 Remote Similarity NPD6616 Approved
0.6508 Remote Similarity NPD6336 Discontinued
0.65 Remote Similarity NPD3617 Approved
0.6476 Remote Similarity NPD4690 Approved
0.6476 Remote Similarity NPD5205 Approved
0.6476 Remote Similarity NPD4689 Approved
0.6476 Remote Similarity NPD4138 Approved
0.6476 Remote Similarity NPD4688 Approved
0.6476 Remote Similarity NPD4693 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3581360
ZINC  

Physicochemical Properties

Molecular Weight:  330.18
ALogP:  0.4844
MLogP:  3.22
XLogP:  1.822
# Rotatable Bonds:  6
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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