Natural Product: NPC477858

Natural Product ID:  NPC477858
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H48O2
Standard InCHIKey:  TXRLVQNUVQVFJG-KJOMNYIYSA-N
Standard InCHI:  InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-24,31H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24-,27-,28+,29-,30+/m1/s1
Canonical SMILES:  CC(=C)C(CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(C)C)C)C)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
NPO31363 Rhus sylvestris Species Anacardiaceae Eukaryota stems and leaves PMID[19447618]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 54.6 % 19447618
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 20.9 % 19447618
NPT926 Cell Line SK-MEL-1 Homo sapiens IC50 > 50000 nM 19447618
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 19447618
NPT165 Cell Line HeLa Homo sapiens IC50 > 50000 nM 19447618

  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 NPC477858 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
0.95 High Similarity NPC70661
0.9487 High Similarity NPC145143
0.9359 High Similarity NPC103754
0.9359 High Similarity NPC474484
0.9136 High Similarity NPC292553
0.9136 High Similarity NPC76518
0.9103 High Similarity NPC201459
0.9024 High Similarity NPC472738
0.9 High Similarity NPC46881
0.8916 High Similarity NPC4643
0.8902 High Similarity NPC471224
0.8889 High Similarity NPC472743
0.8889 High Similarity NPC475726
0.8889 High Similarity NPC472498
0.8846 High Similarity NPC106078
0.8795 High Similarity NPC469994
0.8795 High Similarity NPC475007
0.878 High Similarity NPC474482
0.878 High Similarity NPC474233
0.878 High Similarity NPC263974
0.878 High Similarity NPC475745
0.8765 High Similarity NPC170985
0.875 High Similarity NPC164999
0.8675 High Similarity NPC474083
0.8659 High Similarity NPC245866
0.8659 High Similarity NPC175410
0.8636 High Similarity NPC476174
0.8608 High Similarity NPC257191
0.8608 High Similarity NPC331618
0.8588 High Similarity NPC146937
0.8588 High Similarity NPC16377
0.8554 High Similarity NPC214043
0.8554 High Similarity NPC194937
0.8554 High Similarity NPC473157
0.8554 High Similarity NPC476038
0.8554 High Similarity NPC82902
0.8554 High Similarity NPC264665
0.8554 High Similarity NPC221758
0.8554 High Similarity NPC85774
0.8554 High Similarity NPC59453
0.8554 High Similarity NPC74595
0.8537 High Similarity NPC110780
0.85 High Similarity NPC472342
0.8488 Intermediate Similarity NPC309603
0.8488 Intermediate Similarity NPC2983
0.8488 Intermediate Similarity NPC473999
0.8481 Intermediate Similarity NPC20466
0.8471 Intermediate Similarity NPC472495
0.8471 Intermediate Similarity NPC317590
0.8471 Intermediate Similarity NPC57469
0.8471 Intermediate Similarity NPC472497
0.8452 Intermediate Similarity NPC294438
0.8452 Intermediate Similarity NPC264317
0.8452 Intermediate Similarity NPC283733
0.8452 Intermediate Similarity NPC201655
0.8452 Intermediate Similarity NPC474218
0.8434 Intermediate Similarity NPC472740
0.8434 Intermediate Similarity NPC471036
0.8434 Intermediate Similarity NPC118800
0.8434 Intermediate Similarity NPC291320
0.8415 Intermediate Similarity NPC164210
0.8409 Intermediate Similarity NPC12722
0.8395 Intermediate Similarity NPC215843
0.8395 Intermediate Similarity NPC192744
0.8391 Intermediate Similarity NPC48010
0.8375 Intermediate Similarity NPC66105
0.8375 Intermediate Similarity NPC149249
0.8372 Intermediate Similarity NPC193360
0.8372 Intermediate Similarity NPC472739
0.8372 Intermediate Similarity NPC474719
0.8354 Intermediate Similarity NPC185536
0.8354 Intermediate Similarity NPC230704
0.8354 Intermediate Similarity NPC273366
0.8354 Intermediate Similarity NPC70982
0.8353 Intermediate Similarity NPC145879
0.8353 Intermediate Similarity NPC474732
0.8353 Intermediate Similarity NPC31564
0.8353 Intermediate Similarity NPC12774
0.8353 Intermediate Similarity NPC2783
0.8353 Intermediate Similarity NPC474733
0.8353 Intermediate Similarity NPC51014
0.8353 Intermediate Similarity NPC80590
0.8353 Intermediate Similarity NPC98236
0.8353 Intermediate Similarity NPC474778
0.8353 Intermediate Similarity NPC269396
0.8333 Intermediate Similarity NPC195489
0.8333 Intermediate Similarity NPC473246
0.8333 Intermediate Similarity NPC29152
0.8333 Intermediate Similarity NPC165064
0.8333 Intermediate Similarity NPC146683
0.8333 Intermediate Similarity NPC472506
0.8313 Intermediate Similarity NPC151519
0.8295 Intermediate Similarity NPC475806
0.8295 Intermediate Similarity NPC473998
0.8276 Intermediate Similarity NPC469319
0.8276 Intermediate Similarity NPC229871
0.8276 Intermediate Similarity NPC122116
0.8272 Intermediate Similarity NPC321690
0.8256 Intermediate Similarity NPC264005
0.8256 Intermediate Similarity NPC90652
0.8256 Intermediate Similarity NPC93778
0.8256 Intermediate Similarity NPC134197
0.8256 Intermediate Similarity NPC33768
0.8256 Intermediate Similarity NPC475740
0.8256 Intermediate Similarity NPC269360
0.8256 Intermediate Similarity NPC58063
0.825 Intermediate Similarity NPC246445
0.8242 Intermediate Similarity NPC156546
0.8235 Intermediate Similarity NPC190704
0.8235 Intermediate Similarity NPC471034
0.8235 Intermediate Similarity NPC274724
0.8235 Intermediate Similarity NPC102292
0.8235 Intermediate Similarity NPC469948
0.8235 Intermediate Similarity NPC202868
0.8228 Intermediate Similarity NPC5046
0.8228 Intermediate Similarity NPC49168
0.8228 Intermediate Similarity NPC254509
0.8228 Intermediate Similarity NPC196358
0.8228 Intermediate Similarity NPC145552
0.8222 Intermediate Similarity NPC266431
0.8214 Intermediate Similarity NPC471037
0.8205 Intermediate Similarity NPC156277
0.8205 Intermediate Similarity NPC58057
0.8205 Intermediate Similarity NPC473267
0.8205 Intermediate Similarity NPC151018
0.8205 Intermediate Similarity NPC320549
0.8205 Intermediate Similarity NPC164045
0.8202 Intermediate Similarity NPC474736
0.8182 Intermediate Similarity NPC100313
0.8182 Intermediate Similarity NPC69622
0.8182 Intermediate Similarity NPC126993
0.8182 Intermediate Similarity NPC46758
0.8182 Intermediate Similarity NPC320026
0.8171 Intermediate Similarity NPC476812
0.8161 Intermediate Similarity NPC471900
0.8161 Intermediate Similarity NPC470417
0.8161 Intermediate Similarity NPC211162
0.8161 Intermediate Similarity NPC183374
0.8161 Intermediate Similarity NPC328313
0.8148 Intermediate Similarity NPC264602
0.8148 Intermediate Similarity NPC471035
0.8148 Intermediate Similarity NPC212241
0.8148 Intermediate Similarity NPC212661
0.8148 Intermediate Similarity NPC248830
0.8148 Intermediate Similarity NPC472746
0.8148 Intermediate Similarity NPC119355
0.8148 Intermediate Similarity NPC475031
0.8148 Intermediate Similarity NPC68828
0.814 Intermediate Similarity NPC472505
0.814 Intermediate Similarity NPC72133
0.814 Intermediate Similarity NPC155011
0.814 Intermediate Similarity NPC473168
0.8132 Intermediate Similarity NPC160056
0.8125 Intermediate Similarity NPC200243
0.8118 Intermediate Similarity NPC227132
0.8118 Intermediate Similarity NPC161423
0.8118 Intermediate Similarity NPC227064
0.8118 Intermediate Similarity NPC237712
0.8118 Intermediate Similarity NPC329043
0.8118 Intermediate Similarity NPC58841
0.8118 Intermediate Similarity NPC321187
0.8111 Intermediate Similarity NPC8993
0.8101 Intermediate Similarity NPC161187
0.8101 Intermediate Similarity NPC330659
0.8101 Intermediate Similarity NPC232112
0.8101 Intermediate Similarity NPC310766
0.8101 Intermediate Similarity NPC244708
0.809 Intermediate Similarity NPC262870
0.809 Intermediate Similarity NPC233116
0.809 Intermediate Similarity NPC272746
0.809 Intermediate Similarity NPC63748
0.8072 Intermediate Similarity NPC472478
0.8068 Intermediate Similarity NPC220498
0.8068 Intermediate Similarity NPC31985
0.8068 Intermediate Similarity NPC24772
0.8068 Intermediate Similarity NPC116146
0.8068 Intermediate Similarity NPC57954
0.8068 Intermediate Similarity NPC268406
0.8068 Intermediate Similarity NPC186688
0.8068 Intermediate Similarity NPC76879
0.8068 Intermediate Similarity NPC26959
0.8068 Intermediate Similarity NPC213832
0.8068 Intermediate Similarity NPC1015
0.8068 Intermediate Similarity NPC128496
0.8068 Intermediate Similarity NPC32830
0.8068 Intermediate Similarity NPC477943
0.8068 Intermediate Similarity NPC474245
0.8065 Intermediate Similarity NPC41971
0.8065 Intermediate Similarity NPC180733
0.8065 Intermediate Similarity NPC37047
0.8049 Intermediate Similarity NPC63020
0.8049 Intermediate Similarity NPC82635
0.8049 Intermediate Similarity NPC301707
0.8046 Intermediate Similarity NPC251808
0.8046 Intermediate Similarity NPC259009
0.8046 Intermediate Similarity NPC142361
0.8046 Intermediate Similarity NPC96496
0.8046 Intermediate Similarity NPC153604
0.8046 Intermediate Similarity NPC474174
0.8046 Intermediate Similarity NPC165895

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477858 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
0.8659 High Similarity NPD4788 Approved
0.8554 High Similarity NPD4786 Approved
0.8452 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD3667 Approved
0.8205 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD3133 Approved
0.8118 Intermediate Similarity NPD3666 Approved
0.8118 Intermediate Similarity NPD3665 Phase 1
0.8077 Intermediate Similarity NPD4245 Approved
0.8077 Intermediate Similarity NPD4244 Approved
0.8077 Intermediate Similarity NPD4789 Approved
0.8068 Intermediate Similarity NPD5328 Approved
0.7949 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD3698 Phase 2
0.7931 Intermediate Similarity NPD3618 Phase 1
0.7895 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7889 Intermediate Similarity NPD6079 Approved
0.7778 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD5279 Phase 3
0.7692 Intermediate Similarity NPD8034 Phase 2
0.7692 Intermediate Similarity NPD8035 Phase 2
0.7674 Intermediate Similarity NPD4223 Phase 3
0.7674 Intermediate Similarity NPD4221 Approved
0.7667 Intermediate Similarity NPD4753 Phase 2
0.7614 Intermediate Similarity NPD5329 Approved
0.7609 Intermediate Similarity NPD4202 Approved
0.7609 Intermediate Similarity NPD6399 Phase 3
0.7595 Intermediate Similarity NPD5360 Phase 3
0.7595 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD6117 Approved
0.75 Intermediate Similarity NPD4197 Approved
0.75 Intermediate Similarity NPD6116 Phase 1
0.75 Intermediate Similarity NPD3668 Phase 3
0.747 Intermediate Similarity NPD3703 Phase 2
0.747 Intermediate Similarity NPD6942 Approved
0.747 Intermediate Similarity NPD7339 Approved
0.7442 Intermediate Similarity NPD7525 Registered
0.7412 Intermediate Similarity NPD6114 Approved
0.7412 Intermediate Similarity NPD3617 Approved
0.7412 Intermediate Similarity NPD6697 Approved
0.7412 Intermediate Similarity NPD6115 Approved
0.7412 Intermediate Similarity NPD6118 Approved
0.7368 Intermediate Similarity NPD4697 Phase 3
0.7368 Intermediate Similarity NPD5221 Approved
0.7368 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5222 Approved
0.7363 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD5211 Phase 2
0.7342 Intermediate Similarity NPD4224 Phase 2
0.7333 Intermediate Similarity NPD7521 Approved
0.7333 Intermediate Similarity NPD7334 Approved
0.7333 Intermediate Similarity NPD5330 Approved
0.7333 Intermediate Similarity NPD7146 Approved
0.7333 Intermediate Similarity NPD4693 Phase 3
0.7333 Intermediate Similarity NPD4138 Approved
0.7333 Intermediate Similarity NPD6409 Approved
0.7333 Intermediate Similarity NPD5205 Approved
0.7333 Intermediate Similarity NPD4690 Approved
0.7333 Intermediate Similarity NPD4688 Approved
0.7333 Intermediate Similarity NPD4689 Approved
0.7333 Intermediate Similarity NPD6684 Approved
0.7317 Intermediate Similarity NPD6081 Approved
0.7312 Intermediate Similarity NPD7515 Phase 2
0.7292 Intermediate Similarity NPD6083 Phase 2
0.7292 Intermediate Similarity NPD6084 Phase 2
0.7292 Intermediate Similarity NPD5173 Approved
0.7292 Intermediate Similarity NPD4755 Approved
0.7263 Intermediate Similarity NPD4629 Approved
0.7263 Intermediate Similarity NPD5210 Approved
0.7209 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3671 Phase 1
0.72 Intermediate Similarity NPD5141 Approved
0.7176 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6672 Approved
0.7174 Intermediate Similarity NPD6903 Approved
0.7174 Intermediate Similarity NPD5737 Approved
0.7159 Intermediate Similarity NPD4692 Approved
0.7159 Intermediate Similarity NPD4139 Approved
0.7143 Intermediate Similarity NPD6926 Approved
0.7143 Intermediate Similarity NPD4519 Discontinued
0.7143 Intermediate Similarity NPD5280 Approved
0.7143 Intermediate Similarity NPD7640 Approved
0.7143 Intermediate Similarity NPD6924 Approved
0.7143 Intermediate Similarity NPD5285 Approved
0.7143 Intermediate Similarity NPD7639 Approved
0.7143 Intermediate Similarity NPD4700 Approved
0.7143 Intermediate Similarity NPD5286 Approved
0.7143 Intermediate Similarity NPD4696 Approved
0.7143 Intermediate Similarity NPD4694 Approved
0.7143 Intermediate Similarity NPD4623 Approved
0.7143 Intermediate Similarity NPD5690 Phase 2
0.7126 Intermediate Similarity NPD6929 Approved
0.7108 Intermediate Similarity NPD4758 Discontinued
0.7108 Intermediate Similarity NPD5777 Approved
0.7071 Intermediate Similarity NPD5223 Approved
0.7045 Intermediate Similarity NPD6930 Phase 2
0.7045 Intermediate Similarity NPD6931 Approved
0.7041 Intermediate Similarity NPD7638 Approved
0.7 Intermediate Similarity NPD5226 Approved
0.7 Intermediate Similarity NPD5225 Approved
0.7 Intermediate Similarity NPD4633 Approved
0.7 Intermediate Similarity NPD5224 Approved
0.6988 Remote Similarity NPD4747 Approved
0.6979 Remote Similarity NPD7748 Approved
0.6977 Remote Similarity NPD6933 Approved
0.6966 Remote Similarity NPD6902 Approved
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6957 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6098 Approved
0.6932 Remote Similarity NPD4195 Approved
0.6931 Remote Similarity NPD4754 Approved
0.6931 Remote Similarity NPD5175 Approved
0.6931 Remote Similarity NPD5174 Approved
0.6907 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6907 Remote Similarity NPD5695 Phase 3
0.6905 Remote Similarity NPD4243 Approved
0.6897 Remote Similarity NPD6925 Approved
0.6897 Remote Similarity NPD5776 Phase 2
0.6882 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5133 Approved
0.6869 Remote Similarity NPD5696 Approved
0.6867 Remote Similarity NPD4137 Phase 3
0.6867 Remote Similarity NPD6923 Approved
0.6867 Remote Similarity NPD6922 Approved
0.686 Remote Similarity NPD3702 Approved
0.6854 Remote Similarity NPD4695 Discontinued
0.6827 Remote Similarity NPD7320 Approved
0.6827 Remote Similarity NPD6899 Approved
0.6827 Remote Similarity NPD6881 Approved
0.6818 Remote Similarity NPD7145 Approved
0.6818 Remote Similarity NPD5364 Discontinued
0.6813 Remote Similarity NPD6695 Phase 3
0.6796 Remote Similarity NPD4767 Approved
0.6796 Remote Similarity NPD4768 Approved
0.6789 Remote Similarity NPD7115 Discovery
0.6786 Remote Similarity NPD4691 Approved
0.6786 Remote Similarity NPD7143 Approved
0.6786 Remote Similarity NPD7144 Approved
0.6771 Remote Similarity NPD5281 Approved
0.6771 Remote Similarity NPD5284 Approved
0.6768 Remote Similarity NPD7902 Approved
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD6372 Approved
0.6747 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5733 Approved
0.6744 Remote Similarity NPD4784 Approved
0.6744 Remote Similarity NPD4785 Approved
0.6742 Remote Similarity NPD7645 Phase 2
0.6739 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6737 Remote Similarity NPD6904 Approved
0.6737 Remote Similarity NPD6673 Approved
0.6737 Remote Similarity NPD6080 Approved
0.6731 Remote Similarity NPD5701 Approved
0.6731 Remote Similarity NPD5697 Approved
0.6731 Remote Similarity NPD6412 Phase 2
0.6706 Remote Similarity NPD7150 Approved
0.6706 Remote Similarity NPD7152 Approved
0.6706 Remote Similarity NPD7151 Approved
0.6698 Remote Similarity NPD6883 Approved
0.6698 Remote Similarity NPD7290 Approved
0.6698 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD7514 Phase 3
0.6667 Remote Similarity NPD4729 Approved
0.6667 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4730 Approved
0.6667 Remote Similarity NPD6893 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD4096 Approved
0.6667 Remote Similarity NPD5168 Approved
0.6636 Remote Similarity NPD6650 Approved
0.6636 Remote Similarity NPD8130 Phase 1
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6617 Approved
0.6636 Remote Similarity NPD6869 Approved
0.6636 Remote Similarity NPD6649 Approved
0.6636 Remote Similarity NPD6847 Approved
0.6633 Remote Similarity NPD6001 Approved
0.6632 Remote Similarity NPD5208 Approved
0.663 Remote Similarity NPD5362 Discontinued
0.6629 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6012 Approved
0.6604 Remote Similarity NPD6014 Approved
0.6604 Remote Similarity NPD6013 Approved
0.6598 Remote Similarity NPD7637 Suspended
0.6598 Remote Similarity NPD5693 Phase 1
0.6588 Remote Similarity NPD4787 Phase 1
0.6574 Remote Similarity NPD8297 Approved
0.6574 Remote Similarity NPD6882 Approved
0.6562 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4058 Approved
0.6552 Remote Similarity NPD4687 Approved
0.6542 Remote Similarity NPD5250 Approved
0.6542 Remote Similarity NPD5251 Approved

Structure

External Identifiers

PubChem CID   15767709
ChEMBL   CHEMBL496007
ZINC  

Physicochemical Properties

Molecular Weight:  440.37
ALogP:  2.4107
MLogP:  4.54
XLogP:  9.329
# Rotatable Bonds:  12
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

Download Data

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