Natural Product: NPC477520

Natural Product ID:  NPC477520
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H42O3
Standard InCHIKey:  VPKWIKLBCGVCGU-RFEZLNJMSA-N
Standard InCHI:  InChI=1S/C27H42O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)24-22(28)12-14-27(5,25(24)30)21(18)11-13-26(19,20)4/h7,15,17,19-24,28-29H,6,8-14H2,1-5H3/t17-,19-,20+,21+,22+,23-,24+,26-,27-/m1/s1
Canonical SMILES:  CC(=CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=C[C@@H](O)[C@H]2C(=O)[C@]1(C)CC[C@@H]2O)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
NPO32454 monanchora sp. Species Crambeidae Eukaryota at 15–20 m depth off the shore of Gageo Island, southwestern Korea 2009-JUL PMID[25455409]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 65000 nM 25455409

  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 NPC477520 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
0.9348 High Similarity NPC477521
0.8876 High Similarity NPC53911
0.8778 High Similarity NPC472970
0.8778 High Similarity NPC472971
0.875 High Similarity NPC471224
0.8696 High Similarity NPC69454
0.8696 High Similarity NPC472930
0.8681 High Similarity NPC48010
0.8587 High Similarity NPC63748
0.8571 High Similarity NPC309603
0.8571 High Similarity NPC473999
0.8539 High Similarity NPC474083
0.8523 High Similarity NPC476082
0.8523 High Similarity NPC278648
0.8511 High Similarity NPC259286
0.8462 Intermediate Similarity NPC328313
0.8462 Intermediate Similarity NPC328539
0.8444 Intermediate Similarity NPC470955
0.8444 Intermediate Similarity NPC469994
0.8427 Intermediate Similarity NPC59453
0.8427 Intermediate Similarity NPC221758
0.8421 Intermediate Similarity NPC249954
0.8404 Intermediate Similarity NPC474690
0.8391 Intermediate Similarity NPC306095
0.8391 Intermediate Similarity NPC164999
0.8387 Intermediate Similarity NPC475806
0.8387 Intermediate Similarity NPC473998
0.8372 Intermediate Similarity NPC297996
0.837 Intermediate Similarity NPC275740
0.837 Intermediate Similarity NPC86319
0.837 Intermediate Similarity NPC2983
0.837 Intermediate Similarity NPC1015
0.837 Intermediate Similarity NPC31985
0.8352 Intermediate Similarity NPC4643
0.8352 Intermediate Similarity NPC57469
0.8352 Intermediate Similarity NPC475740
0.8333 Intermediate Similarity NPC202868
0.8316 Intermediate Similarity NPC271195
0.8316 Intermediate Similarity NPC472932
0.8316 Intermediate Similarity NPC180950
0.8283 Intermediate Similarity NPC26478
0.8265 Intermediate Similarity NPC282524
0.8265 Intermediate Similarity NPC472924
0.8261 Intermediate Similarity NPC143767
0.8261 Intermediate Similarity NPC292491
0.8261 Intermediate Similarity NPC471724
0.8261 Intermediate Similarity NPC193360
0.8261 Intermediate Similarity NPC310752
0.8261 Intermediate Similarity NPC131470
0.8242 Intermediate Similarity NPC474732
0.8242 Intermediate Similarity NPC474778
0.8242 Intermediate Similarity NPC474733
0.8242 Intermediate Similarity NPC31564
0.8242 Intermediate Similarity NPC145879
0.8242 Intermediate Similarity NPC51014
0.8229 Intermediate Similarity NPC160056
0.8222 Intermediate Similarity NPC227132
0.8222 Intermediate Similarity NPC165064
0.8222 Intermediate Similarity NPC85774
0.8222 Intermediate Similarity NPC82902
0.8222 Intermediate Similarity NPC214043
0.8211 Intermediate Similarity NPC292793
0.8211 Intermediate Similarity NPC299100
0.8211 Intermediate Similarity NPC8993
0.8202 Intermediate Similarity NPC151519
0.82 Intermediate Similarity NPC201763
0.8191 Intermediate Similarity NPC168027
0.8191 Intermediate Similarity NPC185936
0.8191 Intermediate Similarity NPC472978
0.8191 Intermediate Similarity NPC233116
0.8182 Intermediate Similarity NPC104120
0.8182 Intermediate Similarity NPC185530
0.8182 Intermediate Similarity NPC157895
0.8182 Intermediate Similarity NPC148685
0.8182 Intermediate Similarity NPC477915
0.8172 Intermediate Similarity NPC123912
0.8172 Intermediate Similarity NPC32830
0.8172 Intermediate Similarity NPC474704
0.8172 Intermediate Similarity NPC186688
0.8172 Intermediate Similarity NPC69627
0.8172 Intermediate Similarity NPC475921
0.8172 Intermediate Similarity NPC474245
0.8172 Intermediate Similarity NPC472973
0.8163 Intermediate Similarity NPC110149
0.8152 Intermediate Similarity NPC96496
0.8152 Intermediate Similarity NPC474684
0.8152 Intermediate Similarity NPC90652
0.8152 Intermediate Similarity NPC58063
0.8152 Intermediate Similarity NPC141292
0.8152 Intermediate Similarity NPC142361
0.8152 Intermediate Similarity NPC317590
0.8152 Intermediate Similarity NPC472497
0.8144 Intermediate Similarity NPC474785
0.8144 Intermediate Similarity NPC474938
0.8144 Intermediate Similarity NPC156546
0.8132 Intermediate Similarity NPC470574
0.8132 Intermediate Similarity NPC474218
0.8132 Intermediate Similarity NPC469948
0.8132 Intermediate Similarity NPC292553
0.8125 Intermediate Similarity NPC88310
0.8125 Intermediate Similarity NPC174948
0.8125 Intermediate Similarity NPC318282
0.8125 Intermediate Similarity NPC173875
0.8125 Intermediate Similarity NPC469995
0.8111 Intermediate Similarity NPC105173
0.8105 Intermediate Similarity NPC472942
0.8105 Intermediate Similarity NPC474736
0.81 Intermediate Similarity NPC312900
0.81 Intermediate Similarity NPC475050
0.8085 Intermediate Similarity NPC69622
0.8085 Intermediate Similarity NPC183283
0.8085 Intermediate Similarity NPC126993
0.8085 Intermediate Similarity NPC320026
0.8081 Intermediate Similarity NPC476897
0.8065 Intermediate Similarity NPC470417
0.8065 Intermediate Similarity NPC474854
0.8065 Intermediate Similarity NPC471722
0.8061 Intermediate Similarity NPC103051
0.8043 Intermediate Similarity NPC20688
0.8043 Intermediate Similarity NPC476043
0.8043 Intermediate Similarity NPC94755
0.8043 Intermediate Similarity NPC194417
0.8043 Intermediate Similarity NPC155011
0.8043 Intermediate Similarity NPC472738
0.8043 Intermediate Similarity NPC72133
0.8041 Intermediate Similarity NPC301534
0.8041 Intermediate Similarity NPC250757
0.8041 Intermediate Similarity NPC328371
0.8041 Intermediate Similarity NPC471153
0.8041 Intermediate Similarity NPC471463
0.8041 Intermediate Similarity NPC29152
0.8039 Intermediate Similarity NPC472925
0.8039 Intermediate Similarity NPC83744
0.8039 Intermediate Similarity NPC477916
0.8039 Intermediate Similarity NPC185
0.8022 Intermediate Similarity NPC194937
0.8022 Intermediate Similarity NPC473246
0.8022 Intermediate Similarity NPC476038
0.8021 Intermediate Similarity NPC469406
0.8021 Intermediate Similarity NPC209662
0.802 Intermediate Similarity NPC149124
0.802 Intermediate Similarity NPC204833
0.802 Intermediate Similarity NPC75531
0.802 Intermediate Similarity NPC209502
0.802 Intermediate Similarity NPC474281
0.8 Intermediate Similarity NPC473424
0.8 Intermediate Similarity NPC136289
0.8 Intermediate Similarity NPC101462
0.8 Intermediate Similarity NPC193934
0.8 Intermediate Similarity NPC46881
0.8 Intermediate Similarity NPC107690
0.8 Intermediate Similarity NPC271980
0.8 Intermediate Similarity NPC272746
0.8 Intermediate Similarity NPC477858
0.8 Intermediate Similarity NPC87351
0.8 Intermediate Similarity NPC145143
0.8 Intermediate Similarity NPC470840
0.798 Intermediate Similarity NPC112167
0.798 Intermediate Similarity NPC476274
0.798 Intermediate Similarity NPC287833
0.798 Intermediate Similarity NPC83709
0.798 Intermediate Similarity NPC154072
0.798 Intermediate Similarity NPC51370
0.7979 Intermediate Similarity NPC472475
0.7979 Intermediate Similarity NPC26959
0.7979 Intermediate Similarity NPC76879
0.7979 Intermediate Similarity NPC229871
0.7979 Intermediate Similarity NPC477943
0.7979 Intermediate Similarity NPC469319
0.7979 Intermediate Similarity NPC472477
0.7979 Intermediate Similarity NPC214387
0.7979 Intermediate Similarity NPC268406
0.7979 Intermediate Similarity NPC128496
0.7961 Intermediate Similarity NPC329417
0.7959 Intermediate Similarity NPC190554
0.7959 Intermediate Similarity NPC18509
0.7959 Intermediate Similarity NPC126815
0.7957 Intermediate Similarity NPC233836
0.7957 Intermediate Similarity NPC298904
0.7957 Intermediate Similarity NPC159046
0.7957 Intermediate Similarity NPC472484
0.7957 Intermediate Similarity NPC472495
0.7957 Intermediate Similarity NPC472482
0.7957 Intermediate Similarity NPC187376
0.7957 Intermediate Similarity NPC472481
0.7941 Intermediate Similarity NPC97202
0.7941 Intermediate Similarity NPC296945
0.7941 Intermediate Similarity NPC85829
0.7941 Intermediate Similarity NPC49958
0.7941 Intermediate Similarity NPC149047
0.7941 Intermediate Similarity NPC50692
0.7941 Intermediate Similarity NPC214264
0.7941 Intermediate Similarity NPC302607
0.7941 Intermediate Similarity NPC319077
0.7941 Intermediate Similarity NPC48733
0.7941 Intermediate Similarity NPC166607
0.7941 Intermediate Similarity NPC260268
0.7941 Intermediate Similarity NPC476027
0.7941 Intermediate Similarity NPC60681
0.7941 Intermediate Similarity NPC171137

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477520 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
0.8571 High Similarity NPD5328 Approved
0.8427 Intermediate Similarity NPD4786 Approved
0.8387 Intermediate Similarity NPD6079 Approved
0.8202 Intermediate Similarity NPD3667 Approved
0.8043 Intermediate Similarity NPD3618 Phase 1
0.8 Intermediate Similarity NPD5211 Phase 2
0.7959 Intermediate Similarity NPD4755 Approved
0.7857 Intermediate Similarity NPD5222 Approved
0.7857 Intermediate Similarity NPD5221 Approved
0.7857 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD4697 Phase 3
0.7843 Intermediate Similarity NPD5141 Approved
0.7826 Intermediate Similarity NPD3665 Phase 1
0.7826 Intermediate Similarity NPD3666 Approved
0.7826 Intermediate Similarity NPD3133 Approved
0.78 Intermediate Similarity NPD5286 Approved
0.78 Intermediate Similarity NPD4700 Approved
0.78 Intermediate Similarity NPD4696 Approved
0.78 Intermediate Similarity NPD5285 Approved
0.7778 Intermediate Similarity NPD5173 Approved
0.7732 Intermediate Similarity NPD4202 Approved
0.7647 Intermediate Similarity NPD4633 Approved
0.7647 Intermediate Similarity NPD5226 Approved
0.7647 Intermediate Similarity NPD5224 Approved
0.7647 Intermediate Similarity NPD5225 Approved
0.7604 Intermediate Similarity NPD4753 Phase 2
0.7596 Intermediate Similarity NPD6675 Approved
0.7596 Intermediate Similarity NPD5739 Approved
0.7596 Intermediate Similarity NPD7128 Approved
0.7596 Intermediate Similarity NPD6402 Approved
0.7573 Intermediate Similarity NPD5174 Approved
0.7573 Intermediate Similarity NPD5175 Approved
0.7553 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD6399 Phase 3
0.7549 Intermediate Similarity NPD5223 Approved
0.7477 Intermediate Similarity NPD4634 Approved
0.7474 Intermediate Similarity NPD5279 Phase 3
0.7453 Intermediate Similarity NPD7320 Approved
0.7453 Intermediate Similarity NPD6899 Approved
0.7453 Intermediate Similarity NPD6881 Approved
0.7447 Intermediate Similarity NPD3668 Phase 3
0.7429 Intermediate Similarity NPD4768 Approved
0.7429 Intermediate Similarity NPD4767 Approved
0.7419 Intermediate Similarity NPD4223 Phase 3
0.7419 Intermediate Similarity NPD4221 Approved
0.7416 Intermediate Similarity NPD7339 Approved
0.7416 Intermediate Similarity NPD6942 Approved
0.7404 Intermediate Similarity NPD4754 Approved
0.7391 Intermediate Similarity NPD7525 Registered
0.7387 Intermediate Similarity NPD7115 Discovery
0.7383 Intermediate Similarity NPD6373 Approved
0.7383 Intermediate Similarity NPD6372 Approved
0.7368 Intermediate Similarity NPD5329 Approved
0.7363 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5697 Approved
0.7358 Intermediate Similarity NPD5701 Approved
0.734 Intermediate Similarity NPD4788 Approved
0.7315 Intermediate Similarity NPD6883 Approved
0.7315 Intermediate Similarity NPD7102 Approved
0.7315 Intermediate Similarity NPD7290 Approved
0.7292 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD4730 Approved
0.729 Intermediate Similarity NPD4729 Approved
0.729 Intermediate Similarity NPD5128 Approved
0.7283 Intermediate Similarity NPD6929 Approved
0.7282 Intermediate Similarity NPD7639 Approved
0.7282 Intermediate Similarity NPD7640 Approved
0.7273 Intermediate Similarity NPD7515 Phase 2
0.7273 Intermediate Similarity NPD7637 Suspended
0.7263 Intermediate Similarity NPD4197 Approved
0.7255 Intermediate Similarity NPD6083 Phase 2
0.7255 Intermediate Similarity NPD6084 Phase 2
0.7248 Intermediate Similarity NPD6649 Approved
0.7248 Intermediate Similarity NPD8130 Phase 1
0.7248 Intermediate Similarity NPD6847 Approved
0.7248 Intermediate Similarity NPD6617 Approved
0.7248 Intermediate Similarity NPD6650 Approved
0.7248 Intermediate Similarity NPD6869 Approved
0.7228 Intermediate Similarity NPD4629 Approved
0.7228 Intermediate Similarity NPD5210 Approved
0.7222 Intermediate Similarity NPD6014 Approved
0.7222 Intermediate Similarity NPD6012 Approved
0.7222 Intermediate Similarity NPD6013 Approved
0.7204 Intermediate Similarity NPD6931 Approved
0.7204 Intermediate Similarity NPD6930 Phase 2
0.7184 Intermediate Similarity NPD7638 Approved
0.7182 Intermediate Similarity NPD8297 Approved
0.7182 Intermediate Similarity NPD6882 Approved
0.7156 Intermediate Similarity NPD5249 Phase 3
0.7156 Intermediate Similarity NPD5250 Approved
0.7156 Intermediate Similarity NPD5248 Approved
0.7156 Intermediate Similarity NPD5251 Approved
0.7156 Intermediate Similarity NPD5247 Approved
0.7143 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6011 Approved
0.713 Intermediate Similarity NPD5168 Approved
0.7113 Intermediate Similarity NPD7146 Approved
0.7113 Intermediate Similarity NPD6684 Approved
0.7113 Intermediate Similarity NPD4689 Approved
0.7113 Intermediate Similarity NPD4623 Approved
0.7113 Intermediate Similarity NPD4693 Phase 3
0.7113 Intermediate Similarity NPD5205 Approved
0.7113 Intermediate Similarity NPD4519 Discontinued
0.7113 Intermediate Similarity NPD7521 Approved
0.7113 Intermediate Similarity NPD7334 Approved
0.7113 Intermediate Similarity NPD4690 Approved
0.7113 Intermediate Similarity NPD4138 Approved
0.7113 Intermediate Similarity NPD6409 Approved
0.7113 Intermediate Similarity NPD5786 Approved
0.7113 Intermediate Similarity NPD4688 Approved
0.7113 Intermediate Similarity NPD5330 Approved
0.7111 Intermediate Similarity NPD6926 Approved
0.7111 Intermediate Similarity NPD6924 Approved
0.7091 Intermediate Similarity NPD5215 Approved
0.7091 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5217 Approved
0.7091 Intermediate Similarity NPD5216 Approved
0.7079 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5776 Phase 2
0.7065 Intermediate Similarity NPD6925 Approved
0.7053 Intermediate Similarity NPD4269 Approved
0.7053 Intermediate Similarity NPD4270 Approved
0.7043 Intermediate Similarity NPD6054 Approved
0.7043 Intermediate Similarity NPD6059 Approved
0.7041 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD3703 Phase 2
0.703 Intermediate Similarity NPD5778 Approved
0.703 Intermediate Similarity NPD5779 Approved
0.7021 Intermediate Similarity NPD7514 Phase 3
0.7019 Intermediate Similarity NPD4225 Approved
0.7 Intermediate Similarity NPD5135 Approved
0.7 Intermediate Similarity NPD5169 Approved
0.7 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3617 Approved
0.6989 Remote Similarity NPD7145 Approved
0.6979 Remote Similarity NPD6695 Phase 3
0.6977 Remote Similarity NPD3171 Clinical (unspecified phase)
0.697 Remote Similarity NPD6672 Approved
0.697 Remote Similarity NPD5737 Approved
0.697 Remote Similarity NPD7513 Clinical (unspecified phase)
0.697 Remote Similarity NPD6903 Approved
0.6961 Remote Similarity NPD7748 Approved
0.6957 Remote Similarity NPD6933 Approved
0.6947 Remote Similarity NPD6902 Approved
0.6939 Remote Similarity NPD4694 Approved
0.6939 Remote Similarity NPD5280 Approved
0.6939 Remote Similarity NPD5690 Phase 2
0.6937 Remote Similarity NPD5127 Approved
0.6931 Remote Similarity NPD8035 Phase 2
0.6931 Remote Similarity NPD6411 Approved
0.6931 Remote Similarity NPD8034 Phase 2
0.6923 Remote Similarity NPD6370 Approved
0.6915 Remote Similarity NPD7645 Phase 2
0.6907 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6319 Approved
0.6893 Remote Similarity NPD5695 Phase 3
0.6889 Remote Similarity NPD7150 Approved
0.6889 Remote Similarity NPD7152 Approved
0.6889 Remote Similarity NPD7151 Approved
0.6857 Remote Similarity NPD5696 Approved
0.6854 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6854 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6922 Approved
0.6854 Remote Similarity NPD6923 Approved
0.6842 Remote Similarity NPD5368 Approved
0.6842 Remote Similarity NPD6868 Approved
0.6842 Remote Similarity NPD7332 Phase 2
0.6842 Remote Similarity NPD6274 Approved
0.6842 Remote Similarity NPD4252 Approved
0.6838 Remote Similarity NPD6015 Approved
0.6838 Remote Similarity NPD6016 Approved
0.6837 Remote Similarity NPD6893 Approved
0.6837 Remote Similarity NPD5363 Approved
0.6832 Remote Similarity NPD5785 Approved
0.6814 Remote Similarity NPD4632 Approved
0.681 Remote Similarity NPD7101 Approved
0.681 Remote Similarity NPD7100 Approved
0.6809 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7492 Approved
0.6804 Remote Similarity NPD5362 Discontinued
0.678 Remote Similarity NPD5988 Approved
0.6778 Remote Similarity NPD4244 Approved
0.6778 Remote Similarity NPD4747 Approved
0.6778 Remote Similarity NPD4789 Approved
0.6778 Remote Similarity NPD7143 Approved
0.6778 Remote Similarity NPD4245 Approved
0.6778 Remote Similarity NPD7144 Approved
0.6774 Remote Similarity NPD6117 Approved
0.6771 Remote Similarity NPD4139 Approved
0.6771 Remote Similarity NPD4692 Approved
0.6768 Remote Similarity NPD6098 Approved
0.6762 Remote Similarity NPD7902 Approved
0.6754 Remote Similarity NPD5167 Approved
0.675 Remote Similarity NPD6616 Approved
0.6739 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4195 Approved
0.6733 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6101 Approved
0.6727 Remote Similarity NPD6412 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3577031
ZINC  

Physicochemical Properties

Molecular Weight:  414.31
ALogP:  1.895
MLogP:  4.1
XLogP:  6.18
# Rotatable Bonds:  11
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  30

Download Data

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