Natural Product: NPC472506

Natural Product ID:  NPC472506
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  LYIUHFZMUDDFHQ-DXXZMKCOSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15-,16+,17-,18+,19-,20-/m1/s1
Canonical SMILES:  OC[C@]1(C)CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H](C1)C(=C)[C@H]3O)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
NPO20739 Jungermannia hyalina Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 23376010
NPT2 Others Unspecified IC50 > 50000 nM 14611839
NPT114 Cell Line LoVo Homo sapiens IC50 > 50000 nM 23252603
NPT2 Others Unspecified IC50 > 50000 nM 18672931
NPT2 Others Unspecified IC50 > 50000 nM 12699389
NPT2 Others Unspecified IC50 > 50000 nM 10.6019/CHEMBL1201861
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 19453174
NPT2 Others Unspecified IC50 > 50000 nM 23368996
NPT2 Others Unspecified IC50 > 50000 nM 19459645
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM 15497961
NPT2 Others Unspecified IC50 > 50000 nM 18227183
NPT858 Cell Line LNCaP Homo sapiens IC50 > 50000 nM 18183025
NPT2 Others Unspecified IC50 > 50000 nM 18220356

  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 NPC472506 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
0.9851 High Similarity NPC164045
0.9571 High Similarity NPC38141
0.9437 High Similarity NPC260301
0.9437 High Similarity NPC307336
0.9437 High Similarity NPC138502
0.9306 High Similarity NPC472502
0.9306 High Similarity NPC472499
0.9306 High Similarity NPC472500
0.9306 High Similarity NPC472501
0.9306 High Similarity NPC475
0.9286 High Similarity NPC476736
0.9178 High Similarity NPC5604
0.9178 High Similarity NPC24504
0.9178 High Similarity NPC476316
0.9155 High Similarity NPC185536
0.9054 High Similarity NPC47149
0.8955 High Similarity NPC27243
0.8955 High Similarity NPC476737
0.8933 High Similarity NPC157655
0.8904 High Similarity NPC212241
0.8904 High Similarity NPC331618
0.8904 High Similarity NPC257191
0.8904 High Similarity NPC119355
0.8904 High Similarity NPC248830
0.8857 High Similarity NPC45296
0.8784 High Similarity NPC477817
0.8784 High Similarity NPC472342
0.8784 High Similarity NPC301707
0.8784 High Similarity NPC477514
0.8784 High Similarity NPC477819
0.8784 High Similarity NPC42853
0.875 High Similarity NPC308440
0.875 High Similarity NPC472503
0.8732 High Similarity NPC111234
0.8667 High Similarity NPC49627
0.8667 High Similarity NPC49599
0.863 High Similarity NPC70982
0.863 High Similarity NPC3403
0.863 High Similarity NPC230704
0.863 High Similarity NPC240235
0.863 High Similarity NPC231256
0.863 High Similarity NPC178383
0.863 High Similarity NPC104387
0.863 High Similarity NPC212879
0.8611 High Similarity NPC195489
0.859 High Similarity NPC263974
0.859 High Similarity NPC256567
0.8571 High Similarity NPC170985
0.8571 High Similarity NPC46881
0.8553 High Similarity NPC71535
0.8553 High Similarity NPC78545
0.8533 High Similarity NPC477522
0.8533 High Similarity NPC474216
0.8514 High Similarity NPC91573
0.8514 High Similarity NPC247325
0.8514 High Similarity NPC78067
0.8514 High Similarity NPC14112
0.8514 High Similarity NPC93662
0.8514 High Similarity NPC244488
0.8514 High Similarity NPC278091
0.8514 High Similarity NPC86305
0.8493 Intermediate Similarity NPC254509
0.8493 Intermediate Similarity NPC49168
0.8493 Intermediate Similarity NPC192638
0.8493 Intermediate Similarity NPC62657
0.8493 Intermediate Similarity NPC196358
0.8493 Intermediate Similarity NPC145552
0.8493 Intermediate Similarity NPC25511
0.8493 Intermediate Similarity NPC5046
0.8462 Intermediate Similarity NPC472498
0.8429 Intermediate Similarity NPC308522
0.8429 Intermediate Similarity NPC74885
0.8421 Intermediate Similarity NPC81306
0.8421 Intermediate Similarity NPC109546
0.8421 Intermediate Similarity NPC143182
0.8421 Intermediate Similarity NPC47982
0.8421 Intermediate Similarity NPC28862
0.8421 Intermediate Similarity NPC1319
0.8421 Intermediate Similarity NPC30986
0.8421 Intermediate Similarity NPC209430
0.8421 Intermediate Similarity NPC84694
0.84 Intermediate Similarity NPC202540
0.8378 Intermediate Similarity NPC200243
0.8378 Intermediate Similarity NPC103822
0.8378 Intermediate Similarity NPC144075
0.8333 Intermediate Similarity NPC296701
0.8333 Intermediate Similarity NPC218616
0.8333 Intermediate Similarity NPC145143
0.8333 Intermediate Similarity NPC477858
0.8312 Intermediate Similarity NPC209944
0.8312 Intermediate Similarity NPC234193
0.8312 Intermediate Similarity NPC26117
0.8312 Intermediate Similarity NPC241290
0.8312 Intermediate Similarity NPC164840
0.8289 Intermediate Similarity NPC285761
0.8289 Intermediate Similarity NPC473943
0.8289 Intermediate Similarity NPC167037
0.8289 Intermediate Similarity NPC31828
0.8289 Intermediate Similarity NPC102708
0.8289 Intermediate Similarity NPC244385
0.8289 Intermediate Similarity NPC138621
0.8289 Intermediate Similarity NPC6978
0.8286 Intermediate Similarity NPC476406
0.8267 Intermediate Similarity NPC237460
0.8267 Intermediate Similarity NPC96319
0.8267 Intermediate Similarity NPC107059
0.8267 Intermediate Similarity NPC321016
0.8267 Intermediate Similarity NPC321381
0.8261 Intermediate Similarity NPC68656
0.8243 Intermediate Similarity NPC469533
0.8243 Intermediate Similarity NPC469593
0.8243 Intermediate Similarity NPC469534
0.8228 Intermediate Similarity NPC110778
0.8228 Intermediate Similarity NPC477818
0.8228 Intermediate Similarity NPC245866
0.8228 Intermediate Similarity NPC232023
0.8205 Intermediate Similarity NPC103754
0.8205 Intermediate Similarity NPC23852
0.8205 Intermediate Similarity NPC474484
0.8205 Intermediate Similarity NPC264245
0.8205 Intermediate Similarity NPC209620
0.8194 Intermediate Similarity NPC9942
0.8182 Intermediate Similarity NPC475727
0.8182 Intermediate Similarity NPC80530
0.8182 Intermediate Similarity NPC472742
0.8182 Intermediate Similarity NPC80297
0.8182 Intermediate Similarity NPC116119
0.8182 Intermediate Similarity NPC273410
0.8171 Intermediate Similarity NPC160304
0.8158 Intermediate Similarity NPC470758
0.8158 Intermediate Similarity NPC470711
0.8158 Intermediate Similarity NPC318495
0.8158 Intermediate Similarity NPC198968
0.8158 Intermediate Similarity NPC155986
0.8148 Intermediate Similarity NPC152808
0.8148 Intermediate Similarity NPC139724
0.8148 Intermediate Similarity NPC469994
0.8148 Intermediate Similarity NPC293287
0.8143 Intermediate Similarity NPC258595
0.8133 Intermediate Similarity NPC134847
0.8133 Intermediate Similarity NPC288035
0.8133 Intermediate Similarity NPC162742
0.8133 Intermediate Similarity NPC28657
0.8133 Intermediate Similarity NPC141071
0.8133 Intermediate Similarity NPC136188
0.8133 Intermediate Similarity NPC304309
0.8133 Intermediate Similarity NPC230301
0.8133 Intermediate Similarity NPC257347
0.8133 Intermediate Similarity NPC22105
0.8133 Intermediate Similarity NPC471723
0.8133 Intermediate Similarity NPC285893
0.8125 Intermediate Similarity NPC209802
0.8125 Intermediate Similarity NPC255882
0.8108 Intermediate Similarity NPC474140
0.8108 Intermediate Similarity NPC474743
0.8108 Intermediate Similarity NPC211009
0.8101 Intermediate Similarity NPC49964
0.8101 Intermediate Similarity NPC50964
0.8101 Intermediate Similarity NPC470614
0.8101 Intermediate Similarity NPC189972
0.8101 Intermediate Similarity NPC101462
0.8101 Intermediate Similarity NPC1272
0.8082 Intermediate Similarity NPC34834
0.8077 Intermediate Similarity NPC13554
0.8077 Intermediate Similarity NPC236237
0.8077 Intermediate Similarity NPC102253
0.8077 Intermediate Similarity NPC475679
0.8077 Intermediate Similarity NPC322313
0.8056 Intermediate Similarity NPC160209
0.8056 Intermediate Similarity NPC245795
0.8056 Intermediate Similarity NPC276616
0.8052 Intermediate Similarity NPC65897
0.8052 Intermediate Similarity NPC11908
0.8052 Intermediate Similarity NPC85346
0.8052 Intermediate Similarity NPC302041
0.8052 Intermediate Similarity NPC87604
0.8049 Intermediate Similarity NPC472497
0.8049 Intermediate Similarity NPC472495
0.8028 Intermediate Similarity NPC475897
0.8026 Intermediate Similarity NPC134330
0.8026 Intermediate Similarity NPC300324
0.8026 Intermediate Similarity NPC113733
0.8026 Intermediate Similarity NPC73875
0.8026 Intermediate Similarity NPC189883
0.8026 Intermediate Similarity NPC470749
0.8026 Intermediate Similarity NPC240604
0.8026 Intermediate Similarity NPC129165
0.8025 Intermediate Similarity NPC292553
0.8025 Intermediate Similarity NPC318390
0.8 Intermediate Similarity NPC141941
0.8 Intermediate Similarity NPC474634
0.8 Intermediate Similarity NPC82623
0.8 Intermediate Similarity NPC159654
0.8 Intermediate Similarity NPC281540
0.8 Intermediate Similarity NPC118937
0.8 Intermediate Similarity NPC193870
0.8 Intermediate Similarity NPC101128
0.8 Intermediate Similarity NPC167995
0.8 Intermediate Similarity NPC317458
0.8 Intermediate Similarity NPC475789

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472506 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
0.8267 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD7339 Approved
0.8133 Intermediate Similarity NPD6942 Approved
0.8077 Intermediate Similarity NPD7525 Registered
0.8 Intermediate Similarity NPD4788 Approved
0.7973 Intermediate Similarity NPD4243 Approved
0.7831 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD6924 Approved
0.7763 Intermediate Similarity NPD6926 Approved
0.7763 Intermediate Similarity NPD4784 Approved
0.7763 Intermediate Similarity NPD4785 Approved
0.7722 Intermediate Similarity NPD6929 Approved
0.7625 Intermediate Similarity NPD6931 Approved
0.7625 Intermediate Similarity NPD6930 Phase 2
0.76 Intermediate Similarity NPD4787 Phase 1
0.759 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6933 Approved
0.75 Intermediate Similarity NPD7645 Phase 2
0.747 Intermediate Similarity NPD4786 Approved
0.747 Intermediate Similarity NPD3665 Phase 1
0.747 Intermediate Similarity NPD3133 Approved
0.747 Intermediate Similarity NPD3666 Approved
0.7468 Intermediate Similarity NPD5776 Phase 2
0.7468 Intermediate Similarity NPD6925 Approved
0.7467 Intermediate Similarity NPD6922 Approved
0.7467 Intermediate Similarity NPD6923 Approved
0.7436 Intermediate Similarity NPD4190 Phase 3
0.7436 Intermediate Similarity NPD5275 Approved
0.7407 Intermediate Similarity NPD4748 Discontinued
0.7375 Intermediate Similarity NPD7145 Approved
0.7368 Intermediate Similarity NPD4245 Approved
0.7368 Intermediate Similarity NPD4244 Approved
0.7368 Intermediate Similarity NPD7144 Approved
0.7368 Intermediate Similarity NPD7143 Approved
0.7349 Intermediate Similarity NPD6695 Phase 3
0.7284 Intermediate Similarity NPD4195 Approved
0.7273 Intermediate Similarity NPD7150 Approved
0.7273 Intermediate Similarity NPD7151 Approved
0.7273 Intermediate Similarity NPD7152 Approved
0.7262 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD3698 Phase 2
0.7229 Intermediate Similarity NPD3667 Approved
0.7195 Intermediate Similarity NPD7514 Phase 3
0.7176 Intermediate Similarity NPD6893 Approved
0.716 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6902 Approved
0.7051 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD5328 Approved
0.7045 Intermediate Similarity NPD4753 Phase 2
0.7037 Intermediate Similarity NPD6932 Approved
0.7024 Intermediate Similarity NPD4223 Phase 3
0.7024 Intermediate Similarity NPD4221 Approved
0.7011 Intermediate Similarity NPD7750 Discontinued
0.7011 Intermediate Similarity NPD7524 Approved
0.7 Intermediate Similarity NPD4202 Approved
0.6988 Remote Similarity NPD7332 Phase 2
0.6988 Remote Similarity NPD7509 Discontinued
0.6977 Remote Similarity NPD5329 Approved
0.6923 Remote Similarity NPD4789 Approved
0.6915 Remote Similarity NPD7640 Approved
0.6915 Remote Similarity NPD7639 Approved
0.6905 Remote Similarity NPD6898 Phase 1
0.6897 Remote Similarity NPD3618 Phase 1
0.6889 Remote Similarity NPD8034 Phase 2
0.6889 Remote Similarity NPD6079 Approved
0.6889 Remote Similarity NPD8035 Phase 2
0.6875 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6683 Phase 2
0.686 Remote Similarity NPD4197 Approved
0.6854 Remote Similarity NPD6051 Approved
0.6809 Remote Similarity NPD7638 Approved
0.6795 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6795 Remote Similarity NPD3699 Clinical (unspecified phase)
0.679 Remote Similarity NPD8264 Approved
0.6786 Remote Similarity NPD6928 Phase 2
0.6771 Remote Similarity NPD5211 Phase 2
0.6742 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6711 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6117 Approved
0.6705 Remote Similarity NPD5205 Approved
0.6705 Remote Similarity NPD4693 Phase 3
0.6705 Remote Similarity NPD6684 Approved
0.6705 Remote Similarity NPD4689 Approved
0.6705 Remote Similarity NPD7521 Approved
0.6705 Remote Similarity NPD5279 Phase 3
0.6705 Remote Similarity NPD4688 Approved
0.6705 Remote Similarity NPD4690 Approved
0.6705 Remote Similarity NPD7334 Approved
0.6705 Remote Similarity NPD6409 Approved
0.6705 Remote Similarity NPD7146 Approved
0.6705 Remote Similarity NPD5330 Approved
0.6705 Remote Similarity NPD4138 Approved
0.6703 Remote Similarity NPD7087 Discontinued
0.6702 Remote Similarity NPD4755 Approved
0.6702 Remote Similarity NPD6083 Phase 2
0.6702 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6633 Remote Similarity NPD5141 Approved
0.663 Remote Similarity NPD6399 Phase 3
0.6627 Remote Similarity NPD6116 Phase 1
0.6562 Remote Similarity NPD5286 Approved
0.6562 Remote Similarity NPD4700 Approved
0.6562 Remote Similarity NPD4696 Approved
0.6562 Remote Similarity NPD5285 Approved
0.6556 Remote Similarity NPD4722 Approved
0.6556 Remote Similarity NPD6903 Approved
0.6556 Remote Similarity NPD4723 Approved
0.6548 Remote Similarity NPD6114 Approved
0.6548 Remote Similarity NPD6115 Approved
0.6548 Remote Similarity NPD6118 Approved
0.6548 Remote Similarity NPD6697 Approved
0.6522 Remote Similarity NPD7515 Phase 2
0.6517 Remote Similarity NPD4694 Approved
0.6517 Remote Similarity NPD5690 Phase 2
0.6517 Remote Similarity NPD5280 Approved
0.6512 Remote Similarity NPD4139 Approved
0.6512 Remote Similarity NPD4692 Approved
0.6495 Remote Similarity NPD5223 Approved
0.6477 Remote Similarity NPD3668 Phase 3
0.6456 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6456 Remote Similarity NPD5360 Phase 3
0.6456 Remote Similarity NPD6705 Phase 1
0.6429 Remote Similarity NPD7632 Discontinued
0.6429 Remote Similarity NPD5224 Approved
0.6429 Remote Similarity NPD5226 Approved
0.6429 Remote Similarity NPD4633 Approved
0.6429 Remote Similarity NPD5225 Approved
0.6421 Remote Similarity NPD5222 Approved
0.6421 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6421 Remote Similarity NPD5221 Approved
0.6421 Remote Similarity NPD4697 Phase 3
0.642 Remote Similarity NPD5777 Approved
0.641 Remote Similarity NPD4224 Phase 2
0.64 Remote Similarity NPD5739 Approved
0.64 Remote Similarity NPD6402 Approved
0.64 Remote Similarity NPD7128 Approved
0.64 Remote Similarity NPD6675 Approved
0.6386 Remote Similarity NPD3702 Approved
0.6386 Remote Similarity NPD3703 Phase 2
0.6364 Remote Similarity NPD5175 Approved
0.6364 Remote Similarity NPD4754 Approved
0.6364 Remote Similarity NPD5174 Approved
0.6354 Remote Similarity NPD5173 Approved
0.6353 Remote Similarity NPD3617 Approved
0.6344 Remote Similarity NPD7637 Suspended
0.6333 Remote Similarity NPD4519 Discontinued
0.6333 Remote Similarity NPD6098 Approved
0.6333 Remote Similarity NPD4623 Approved
0.6316 Remote Similarity NPD368 Approved
0.6316 Remote Similarity NPD5695 Phase 3
0.6289 Remote Similarity NPD5696 Approved
0.6275 Remote Similarity NPD7320 Approved
0.6275 Remote Similarity NPD6881 Approved
0.6275 Remote Similarity NPD6899 Approved
0.6238 Remote Similarity NPD4768 Approved
0.6238 Remote Similarity NPD4767 Approved
0.6237 Remote Similarity NPD7136 Phase 2
0.622 Remote Similarity NPD6081 Approved
0.6214 Remote Similarity NPD6372 Approved
0.6214 Remote Similarity NPD6373 Approved
0.6211 Remote Similarity NPD7748 Approved
0.6196 Remote Similarity NPD5737 Approved
0.6196 Remote Similarity NPD6672 Approved
0.618 Remote Similarity NPD5331 Approved
0.618 Remote Similarity NPD5332 Approved
0.618 Remote Similarity NPD5362 Discontinued
0.6176 Remote Similarity NPD5697 Approved
0.6176 Remote Similarity NPD5701 Approved
0.6176 Remote Similarity NPD6412 Phase 2
0.617 Remote Similarity NPD5284 Approved
0.617 Remote Similarity NPD5281 Approved
0.6164 Remote Similarity NPD342 Phase 1
0.6163 Remote Similarity NPD3671 Phase 1
0.6163 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6162 Remote Similarity NPD4159 Approved
0.6154 Remote Similarity NPD6883 Approved
0.6154 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7102 Approved
0.6154 Remote Similarity NPD7290 Approved
0.6136 Remote Similarity NPD4790 Discontinued
0.6132 Remote Similarity NPD8133 Approved
0.6129 Remote Similarity NPD6673 Approved
0.6129 Remote Similarity NPD6904 Approved
0.6129 Remote Similarity NPD6080 Approved
0.6122 Remote Similarity NPD5290 Discontinued
0.6117 Remote Similarity NPD5128 Approved
0.6117 Remote Similarity NPD6011 Approved
0.6117 Remote Similarity NPD4729 Approved
0.6117 Remote Similarity NPD4730 Approved
0.6095 Remote Similarity NPD6650 Approved
0.6095 Remote Similarity NPD6869 Approved
0.6095 Remote Similarity NPD8130 Phase 1
0.6095 Remote Similarity NPD6617 Approved
0.6095 Remote Similarity NPD6649 Approved
0.6095 Remote Similarity NPD6847 Approved
0.6095 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4096 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426522
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  0.1464
MLogP:  3.44
XLogP:  4.484
# Rotatable Bonds:  5
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  22

Download Data

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