Natural Product: NPC251970

Natural Product ID:  NPC251970
Common Name:   Acanthoic Acid
IUPAC Name:   (1R,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Synonyms:   Acanthoic Acid
Molecular Formula:   C20H30O2
Standard InCHIKey:  TVHDZSRRHQKNEZ-BDAJPOSXSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14?,16?,18-,19-,20+/m0/s1
Canonical SMILES:  C=C[C@@]1(C)CC=C2C(C1)CCC1[C@@]2(C)CCC[C@@]1(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
NPO25047 Eleutherococcus koreanus Species Araliaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 790400 nM 11229771
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 116400 nM 11229771
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 23500 nM 16545563

  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 NPC251970 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
1.0 High Similarity NPC476046
1.0 High Similarity NPC241854
0.9855 High Similarity NPC279666
0.9855 High Similarity NPC192540
0.9714 High Similarity NPC69143
0.971 High Similarity NPC161923
0.971 High Similarity NPC103958
0.971 High Similarity NPC283908
0.971 High Similarity NPC183503
0.942 High Similarity NPC160817
0.9306 High Similarity NPC471899
0.9306 High Similarity NPC471897
0.9306 High Similarity NPC107039
0.9178 High Similarity NPC280654
0.9178 High Similarity NPC110094
0.9178 High Similarity NPC260385
0.9167 High Similarity NPC309399
0.9167 High Similarity NPC89294
0.9155 High Similarity NPC237591
0.9155 High Similarity NPC3753
0.9054 High Similarity NPC199595
0.9054 High Similarity NPC231431
0.9054 High Similarity NPC16394
0.9041 High Similarity NPC165711
0.9028 High Similarity NPC476844
0.9028 High Similarity NPC201027
0.8933 High Similarity NPC104545
0.8933 High Similarity NPC37038
0.8919 High Similarity NPC179028
0.8904 High Similarity NPC180886
0.8889 High Similarity NPC166797
0.8889 High Similarity NPC301065
0.8816 High Similarity NPC471898
0.8816 High Similarity NPC263272
0.8816 High Similarity NPC267691
0.8816 High Similarity NPC278459
0.8816 High Similarity NPC142244
0.8816 High Similarity NPC274050
0.8816 High Similarity NPC162632
0.8816 High Similarity NPC221647
0.8816 High Similarity NPC147066
0.8767 High Similarity NPC476795
0.8701 High Similarity NPC251779
0.8701 High Similarity NPC69101
0.8701 High Similarity NPC320514
0.8701 High Similarity NPC238991
0.8701 High Similarity NPC302661
0.8684 High Similarity NPC26139
0.8684 High Similarity NPC477057
0.8667 High Similarity NPC321514
0.863 High Similarity NPC255168
0.8608 High Similarity NPC474537
0.8608 High Similarity NPC29447
0.859 High Similarity NPC477852
0.859 High Similarity NPC200752
0.859 High Similarity NPC70834
0.859 High Similarity NPC167103
0.8571 High Similarity NPC38350
0.8571 High Similarity NPC201912
0.8553 High Similarity NPC327674
0.8553 High Similarity NPC477371
0.8553 High Similarity NPC158846
0.8533 High Similarity NPC472300
0.8533 High Similarity NPC61952
0.85 High Similarity NPC82979
0.8493 Intermediate Similarity NPC330659
0.8493 Intermediate Similarity NPC35656
0.8493 Intermediate Similarity NPC36310
0.8493 Intermediate Similarity NPC161187
0.8493 Intermediate Similarity NPC244708
0.8481 Intermediate Similarity NPC96095
0.8481 Intermediate Similarity NPC477289
0.8481 Intermediate Similarity NPC156981
0.8462 Intermediate Similarity NPC260956
0.8462 Intermediate Similarity NPC73882
0.8451 Intermediate Similarity NPC290445
0.8451 Intermediate Similarity NPC36616
0.8442 Intermediate Similarity NPC476809
0.8421 Intermediate Similarity NPC59436
0.8421 Intermediate Similarity NPC239098
0.8421 Intermediate Similarity NPC74410
0.8421 Intermediate Similarity NPC198240
0.84 Intermediate Similarity NPC899
0.8378 Intermediate Similarity NPC18819
0.8378 Intermediate Similarity NPC46610
0.8375 Intermediate Similarity NPC76333
0.8354 Intermediate Similarity NPC215893
0.8354 Intermediate Similarity NPC83569
0.8354 Intermediate Similarity NPC102197
0.8354 Intermediate Similarity NPC105803
0.8354 Intermediate Similarity NPC69279
0.8333 Intermediate Similarity NPC473420
0.8333 Intermediate Similarity NPC327002
0.8333 Intermediate Similarity NPC477372
0.8312 Intermediate Similarity NPC192329
0.8312 Intermediate Similarity NPC474113
0.8289 Intermediate Similarity NPC97377
0.8272 Intermediate Similarity NPC325594
0.8272 Intermediate Similarity NPC155011
0.8272 Intermediate Similarity NPC324063
0.8272 Intermediate Similarity NPC73038
0.825 Intermediate Similarity NPC248758
0.8243 Intermediate Similarity NPC177826
0.8228 Intermediate Similarity NPC133391
0.8219 Intermediate Similarity NPC91369
0.8219 Intermediate Similarity NPC235586
0.8205 Intermediate Similarity NPC267517
0.8205 Intermediate Similarity NPC472478
0.8205 Intermediate Similarity NPC2482
0.8193 Intermediate Similarity NPC262043
0.8182 Intermediate Similarity NPC471409
0.8182 Intermediate Similarity NPC189485
0.8182 Intermediate Similarity NPC4827
0.8182 Intermediate Similarity NPC275494
0.8171 Intermediate Similarity NPC88716
0.8171 Intermediate Similarity NPC173089
0.8171 Intermediate Similarity NPC307426
0.8171 Intermediate Similarity NPC68160
0.8171 Intermediate Similarity NPC51700
0.8171 Intermediate Similarity NPC102683
0.8171 Intermediate Similarity NPC71507
0.8171 Intermediate Similarity NPC474684
0.8171 Intermediate Similarity NPC136948
0.8171 Intermediate Similarity NPC18064
0.8171 Intermediate Similarity NPC293564
0.8171 Intermediate Similarity NPC98442
0.8171 Intermediate Similarity NPC142361
0.8171 Intermediate Similarity NPC171203
0.8171 Intermediate Similarity NPC158141
0.8171 Intermediate Similarity NPC130577
0.8171 Intermediate Similarity NPC242468
0.8171 Intermediate Similarity NPC142415
0.8171 Intermediate Similarity NPC96496
0.8158 Intermediate Similarity NPC104806
0.8158 Intermediate Similarity NPC246445
0.8148 Intermediate Similarity NPC474680
0.8148 Intermediate Similarity NPC269638
0.8143 Intermediate Similarity NPC469662
0.8143 Intermediate Similarity NPC234767
0.8133 Intermediate Similarity NPC306928
0.8133 Intermediate Similarity NPC213223
0.8125 Intermediate Similarity NPC49019
0.8125 Intermediate Similarity NPC312480
0.8125 Intermediate Similarity NPC168188
0.8125 Intermediate Similarity NPC97913
0.8125 Intermediate Similarity NPC477373
0.8125 Intermediate Similarity NPC470015
0.8108 Intermediate Similarity NPC72343
0.8101 Intermediate Similarity NPC121984
0.8101 Intermediate Similarity NPC229584
0.8101 Intermediate Similarity NPC474955
0.8101 Intermediate Similarity NPC40228
0.8101 Intermediate Similarity NPC14203
0.8101 Intermediate Similarity NPC90055
0.8101 Intermediate Similarity NPC3915
0.8101 Intermediate Similarity NPC14151
0.8077 Intermediate Similarity NPC215843
0.8077 Intermediate Similarity NPC196827
0.8077 Intermediate Similarity NPC274996
0.8072 Intermediate Similarity NPC48107
0.8072 Intermediate Similarity NPC17733
0.8072 Intermediate Similarity NPC40552
0.8072 Intermediate Similarity NPC52169
0.8072 Intermediate Similarity NPC473242
0.8072 Intermediate Similarity NPC474474
0.8072 Intermediate Similarity NPC470629
0.8072 Intermediate Similarity NPC290690
0.8072 Intermediate Similarity NPC181225
0.8072 Intermediate Similarity NPC182797
0.8072 Intermediate Similarity NPC474512
0.8072 Intermediate Similarity NPC474511
0.8072 Intermediate Similarity NPC246708
0.8072 Intermediate Similarity NPC1753
0.8052 Intermediate Similarity NPC66105
0.8052 Intermediate Similarity NPC68828
0.8052 Intermediate Similarity NPC212661
0.8052 Intermediate Similarity NPC471035
0.8049 Intermediate Similarity NPC72638
0.8049 Intermediate Similarity NPC322159
0.8049 Intermediate Similarity NPC262085
0.8026 Intermediate Similarity NPC476346
0.8025 Intermediate Similarity NPC164577
0.8025 Intermediate Similarity NPC472864
0.8025 Intermediate Similarity NPC472865
0.8025 Intermediate Similarity NPC165064
0.8025 Intermediate Similarity NPC194937
0.8025 Intermediate Similarity NPC19849
0.8025 Intermediate Similarity NPC476038
0.8 Intermediate Similarity NPC151519
0.8 Intermediate Similarity NPC202118
0.8 Intermediate Similarity NPC197238
0.8 Intermediate Similarity NPC56747
0.8 Intermediate Similarity NPC472813
0.8 Intermediate Similarity NPC109576
0.8 Intermediate Similarity NPC301244
0.8 Intermediate Similarity NPC193347
0.8 Intermediate Similarity NPC180015
0.8 Intermediate Similarity NPC130016
0.8 Intermediate Similarity NPC310989
0.7976 Intermediate Similarity NPC225585

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC251970 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
0.8 Intermediate Similarity NPD3667 Approved
0.8 Intermediate Similarity NPD4221 Approved
0.8 Intermediate Similarity NPD4223 Phase 3
0.7975 Intermediate Similarity NPD4695 Discontinued
0.7831 Intermediate Similarity NPD4519 Discontinued
0.7831 Intermediate Similarity NPD4623 Approved
0.7805 Intermediate Similarity NPD4786 Approved
0.7805 Intermediate Similarity NPD3133 Approved
0.7805 Intermediate Similarity NPD4197 Approved
0.7805 Intermediate Similarity NPD3666 Approved
0.7805 Intermediate Similarity NPD3665 Phase 1
0.7791 Intermediate Similarity NPD7515 Phase 2
0.7791 Intermediate Similarity NPD5281 Approved
0.7791 Intermediate Similarity NPD5284 Approved
0.7765 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD3573 Approved
0.7722 Intermediate Similarity NPD3617 Approved
0.7711 Intermediate Similarity NPD5329 Approved
0.7701 Intermediate Similarity NPD6399 Phase 3
0.7619 Intermediate Similarity NPD5205 Approved
0.7619 Intermediate Similarity NPD6098 Approved
0.7619 Intermediate Similarity NPD4690 Approved
0.7619 Intermediate Similarity NPD7146 Approved
0.7619 Intermediate Similarity NPD4688 Approved
0.7619 Intermediate Similarity NPD4138 Approved
0.7619 Intermediate Similarity NPD7521 Approved
0.7619 Intermediate Similarity NPD7334 Approved
0.7619 Intermediate Similarity NPD4693 Phase 3
0.7619 Intermediate Similarity NPD6684 Approved
0.7619 Intermediate Similarity NPD5690 Phase 2
0.7619 Intermediate Similarity NPD3618 Phase 1
0.7619 Intermediate Similarity NPD6409 Approved
0.7619 Intermediate Similarity NPD4689 Approved
0.7619 Intermediate Similarity NPD5330 Approved
0.7614 Intermediate Similarity NPD7748 Approved
0.76 Intermediate Similarity NPD4137 Phase 3
0.75 Intermediate Similarity NPD4747 Approved
0.75 Intermediate Similarity NPD4691 Approved
0.7467 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6903 Approved
0.7442 Intermediate Similarity NPD5208 Approved
0.7442 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD5737 Approved
0.7442 Intermediate Similarity NPD6672 Approved
0.7436 Intermediate Similarity NPD4058 Approved
0.7412 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5280 Approved
0.7412 Intermediate Similarity NPD4694 Approved
0.7407 Intermediate Similarity NPD4195 Approved
0.7386 Intermediate Similarity NPD6079 Approved
0.7381 Intermediate Similarity NPD3668 Phase 3
0.7363 Intermediate Similarity NPD6084 Phase 2
0.7363 Intermediate Similarity NPD6083 Phase 2
0.7363 Intermediate Similarity NPD7902 Approved
0.7356 Intermediate Similarity NPD6904 Approved
0.7356 Intermediate Similarity NPD6080 Approved
0.7356 Intermediate Similarity NPD6673 Approved
0.7356 Intermediate Similarity NPD4753 Phase 2
0.7356 Intermediate Similarity NPD5328 Approved
0.7349 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5695 Phase 3
0.7294 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5696 Approved
0.7273 Intermediate Similarity NPD5207 Approved
0.7253 Intermediate Similarity NPD7614 Phase 1
0.7229 Intermediate Similarity NPD4692 Approved
0.7229 Intermediate Similarity NPD4139 Approved
0.7215 Intermediate Similarity NPD4785 Approved
0.7215 Intermediate Similarity NPD4687 Approved
0.7215 Intermediate Similarity NPD4784 Approved
0.7209 Intermediate Similarity NPD5279 Phase 3
0.7206 Intermediate Similarity NPD3172 Approved
0.72 Intermediate Similarity NPD4224 Phase 2
0.7191 Intermediate Similarity NPD6411 Approved
0.7191 Intermediate Similarity NPD5693 Phase 1
0.7191 Intermediate Similarity NPD5694 Approved
0.7179 Intermediate Similarity NPD4243 Approved
0.7143 Intermediate Similarity NPD5210 Approved
0.7143 Intermediate Similarity NPD4629 Approved
0.7125 Intermediate Similarity NPD8039 Approved
0.7111 Intermediate Similarity NPD4202 Approved
0.7101 Intermediate Similarity NPD4266 Approved
0.7101 Intermediate Similarity NPD3195 Phase 2
0.7101 Intermediate Similarity NPD3196 Approved
0.7101 Intermediate Similarity NPD3194 Approved
0.7079 Intermediate Similarity NPD5692 Phase 3
0.7065 Intermediate Similarity NPD5222 Approved
0.7065 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5221 Approved
0.7037 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD7900 Approved
0.7033 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD6001 Approved
0.7021 Intermediate Similarity NPD6404 Discontinued
0.7 Intermediate Similarity NPD5733 Approved
0.7 Intermediate Similarity NPD6050 Approved
0.6989 Remote Similarity NPD5173 Approved
0.6974 Remote Similarity NPD7331 Phase 2
0.6966 Remote Similarity NPD6101 Approved
0.6966 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5276 Approved
0.6957 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6939 Remote Similarity NPD5697 Approved
0.6914 Remote Similarity NPD5275 Approved
0.6914 Remote Similarity NPD4190 Phase 3
0.6914 Remote Similarity NPD6942 Approved
0.6914 Remote Similarity NPD7339 Approved
0.6889 Remote Similarity NPD4096 Approved
0.6882 Remote Similarity NPD4697 Phase 3
0.6869 Remote Similarity NPD6011 Approved
0.6869 Remote Similarity NPD6899 Approved
0.6869 Remote Similarity NPD6881 Approved
0.6867 Remote Similarity NPD5784 Clinical (unspecified phase)
0.686 Remote Similarity NPD4788 Approved
0.6854 Remote Similarity NPD4518 Approved
0.6842 Remote Similarity NPD5286 Approved
0.6842 Remote Similarity NPD4696 Approved
0.6842 Remote Similarity NPD5285 Approved
0.6837 Remote Similarity NPD5739 Approved
0.6837 Remote Similarity NPD6675 Approved
0.6837 Remote Similarity NPD6402 Approved
0.6837 Remote Similarity NPD7128 Approved
0.6813 Remote Similarity NPD8034 Phase 2
0.6813 Remote Similarity NPD8035 Phase 2
0.6809 Remote Similarity NPD4755 Approved
0.68 Remote Similarity NPD6012 Approved
0.68 Remote Similarity NPD6014 Approved
0.68 Remote Similarity NPD6013 Approved
0.6786 Remote Similarity NPD7645 Phase 2
0.6771 Remote Similarity NPD5223 Approved
0.6768 Remote Similarity NPD5701 Approved
0.675 Remote Similarity NPD6081 Approved
0.6739 Remote Similarity NPD5133 Approved
0.6737 Remote Similarity NPD7638 Approved
0.6733 Remote Similarity NPD7102 Approved
0.6733 Remote Similarity NPD6883 Approved
0.6733 Remote Similarity NPD7290 Approved
0.6705 Remote Similarity NPD1694 Approved
0.6702 Remote Similarity NPD7732 Phase 3
0.6701 Remote Similarity NPD5091 Approved
0.6701 Remote Similarity NPD4633 Approved
0.6701 Remote Similarity NPD5224 Approved
0.6701 Remote Similarity NPD5211 Phase 2
0.6701 Remote Similarity NPD5226 Approved
0.6701 Remote Similarity NPD5225 Approved
0.67 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD4192 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD28 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD4194 Approved
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD29 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD4193 Approved
0.6667 Remote Similarity NPD4191 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6634 Remote Similarity NPD6373 Approved
0.6634 Remote Similarity NPD6372 Approved
0.6633 Remote Similarity NPD5174 Approved
0.6633 Remote Similarity NPD5175 Approved
0.6628 Remote Similarity NPD857 Phase 3
0.6623 Remote Similarity NPD7341 Phase 2
0.6618 Remote Similarity NPD3173 Approved
0.6602 Remote Similarity NPD6882 Approved
0.6602 Remote Similarity NPD8297 Approved
0.6596 Remote Similarity NPD5654 Approved
0.6585 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5141 Approved
0.6559 Remote Similarity NPD1088 Approved
0.6559 Remote Similarity NPD5778 Approved
0.6559 Remote Similarity NPD5779 Approved
0.6538 Remote Similarity NPD4632 Approved
0.6512 Remote Similarity NPD5368 Approved
0.6512 Remote Similarity NPD7525 Registered
0.6506 Remote Similarity NPD3702 Approved
0.6505 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6486 Remote Similarity NPD287 Approved
0.6477 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6477 Remote Similarity NPD5362 Discontinued
0.6471 Remote Similarity NPD622 Approved
0.6465 Remote Similarity NPD6052 Approved
0.6465 Remote Similarity NPD4754 Approved
0.6458 Remote Similarity NPD5959 Approved
0.6452 Remote Similarity NPD7637 Suspended
0.6437 Remote Similarity NPD5369 Approved
0.6437 Remote Similarity NPD8028 Phase 2
0.6436 Remote Similarity NPD6412 Phase 2
0.6436 Remote Similarity NPD6614 Approved
0.6429 Remote Similarity NPD6117 Approved
0.642 Remote Similarity NPD7143 Approved
0.642 Remote Similarity NPD7144 Approved
0.6415 Remote Similarity NPD6868 Approved
0.6413 Remote Similarity NPD6051 Approved
0.641 Remote Similarity NPD3171 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9861219
ChEMBL   CHEMBL152325
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  2.1099
MLogP:  3.44
XLogP:  6.118
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs