Natural Product: NPC194196

Natural Product ID:  NPC194196
Common Name:   2-Formyl-A(1)-19Alpha-Hydroxy-1-Norolean-2,12-Dien-28-Oic Acid
IUPAC Name:   (3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-1-formyl-11-hydroxy-3,3,5a,5b,10,10,13b-heptamethyl-4,5,6,7,8,9,11,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid
Synonyms:  
Molecular Formula:   C30H44O4
Standard InCHIKey:  WHXSEQZSHBSMSL-XENLZXDWSA-N
Standard InCHI:  InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16-17,20-23,32H,9-15H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1
Canonical SMILES:  O=CC1=CC([C@H]2[C@@]1(C)[C@H]1CC=C3[C@@]([C@@]1(CC2)C)(C)CC[C@@]1([C@H]3[C@H](O)C(C)(C)CC1)C(=O)O)(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
NPO1524 Rosa rugosa Species Rosaceae Eukaryota Roots PMID[24461297]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus Inhibition = 32.39 % 16933872
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus IC50 > 1000000 nM 10.6019/CHEMBL1201861

  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 NPC194196 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
0.8947 High Similarity NPC471039
0.8947 High Similarity NPC235053
0.883 High Similarity NPC474185
0.8817 High Similarity NPC85173
0.8804 High Similarity NPC206060
0.8804 High Similarity NPC473229
0.8737 High Similarity NPC471040
0.8723 High Similarity NPC212301
0.8723 High Similarity NPC187722
0.8723 High Similarity NPC38754
0.8723 High Similarity NPC86266
0.8723 High Similarity NPC110657
0.871 High Similarity NPC119416
0.871 High Similarity NPC477973
0.866 High Similarity NPC108078
0.866 High Similarity NPC187933
0.8632 High Similarity NPC470376
0.8632 High Similarity NPC141497
0.8632 High Similarity NPC118519
0.8632 High Similarity NPC229281
0.8632 High Similarity NPC158059
0.8632 High Similarity NPC202728
0.8632 High Similarity NPC170220
0.8632 High Similarity NPC470375
0.8632 High Similarity NPC107674
0.8617 High Similarity NPC477872
0.8617 High Similarity NPC120968
0.8617 High Similarity NPC7260
0.8617 High Similarity NPC227467
0.8617 High Similarity NPC18872
0.8617 High Similarity NPC193750
0.8617 High Similarity NPC210037
0.8617 High Similarity NPC290614
0.8617 High Similarity NPC273621
0.8602 High Similarity NPC474677
0.8571 High Similarity NPC471966
0.8542 High Similarity NPC209868
0.8542 High Similarity NPC49670
0.8542 High Similarity NPC6818
0.8542 High Similarity NPC191412
0.8542 High Similarity NPC114159
0.8526 High Similarity NPC158030
0.8526 High Similarity NPC65120
0.8526 High Similarity NPC233455
0.8526 High Similarity NPC272746
0.8526 High Similarity NPC145067
0.8526 High Similarity NPC4036
0.8526 High Similarity NPC105189
0.8511 High Similarity NPC143232
0.8511 High Similarity NPC474704
0.8511 High Similarity NPC274330
0.8511 High Similarity NPC290972
0.8511 High Similarity NPC64872
0.8511 High Similarity NPC25906
0.8511 High Similarity NPC198664
0.8511 High Similarity NPC475921
0.8495 Intermediate Similarity NPC474684
0.8495 Intermediate Similarity NPC142361
0.8454 Intermediate Similarity NPC96916
0.8454 Intermediate Similarity NPC139459
0.8454 Intermediate Similarity NPC139570
0.8438 Intermediate Similarity NPC272075
0.8438 Intermediate Similarity NPC295643
0.8438 Intermediate Similarity NPC298554
0.8438 Intermediate Similarity NPC118490
0.8438 Intermediate Similarity NPC214756
0.8421 Intermediate Similarity NPC470589
0.8421 Intermediate Similarity NPC291028
0.8421 Intermediate Similarity NPC191684
0.8421 Intermediate Similarity NPC126369
0.8421 Intermediate Similarity NPC130278
0.8421 Intermediate Similarity NPC111110
0.8421 Intermediate Similarity NPC126993
0.8416 Intermediate Similarity NPC282233
0.8416 Intermediate Similarity NPC95585
0.8404 Intermediate Similarity NPC474512
0.8404 Intermediate Similarity NPC470629
0.8404 Intermediate Similarity NPC290690
0.8404 Intermediate Similarity NPC52169
0.8404 Intermediate Similarity NPC182797
0.8404 Intermediate Similarity NPC473242
0.8404 Intermediate Similarity NPC242864
0.8404 Intermediate Similarity NPC181225
0.8404 Intermediate Similarity NPC474925
0.8404 Intermediate Similarity NPC17733
0.8387 Intermediate Similarity NPC155011
0.8384 Intermediate Similarity NPC114274
0.8384 Intermediate Similarity NPC478056
0.8367 Intermediate Similarity NPC73004
0.8367 Intermediate Similarity NPC167193
0.8367 Intermediate Similarity NPC116457
0.8367 Intermediate Similarity NPC204961
0.8367 Intermediate Similarity NPC469545
0.8367 Intermediate Similarity NPC5532
0.8367 Intermediate Similarity NPC173744
0.8367 Intermediate Similarity NPC158371
0.8367 Intermediate Similarity NPC259733
0.8367 Intermediate Similarity NPC472806
0.8367 Intermediate Similarity NPC157113
0.8367 Intermediate Similarity NPC61369
0.8367 Intermediate Similarity NPC207922
0.8367 Intermediate Similarity NPC62516
0.8367 Intermediate Similarity NPC327179
0.8367 Intermediate Similarity NPC132824
0.8351 Intermediate Similarity NPC166906
0.8351 Intermediate Similarity NPC269729
0.8351 Intermediate Similarity NPC222047
0.8351 Intermediate Similarity NPC148964
0.8351 Intermediate Similarity NPC159410
0.8333 Intermediate Similarity NPC23434
0.8333 Intermediate Similarity NPC189520
0.8333 Intermediate Similarity NPC230064
0.8333 Intermediate Similarity NPC154101
0.8317 Intermediate Similarity NPC136289
0.8316 Intermediate Similarity NPC1015
0.8316 Intermediate Similarity NPC121798
0.8316 Intermediate Similarity NPC59263
0.8316 Intermediate Similarity NPC127689
0.8316 Intermediate Similarity NPC130520
0.8316 Intermediate Similarity NPC263393
0.8316 Intermediate Similarity NPC61543
0.8316 Intermediate Similarity NPC225585
0.8316 Intermediate Similarity NPC470588
0.8316 Intermediate Similarity NPC31985
0.8316 Intermediate Similarity NPC293048
0.8316 Intermediate Similarity NPC234346
0.8316 Intermediate Similarity NPC270768
0.83 Intermediate Similarity NPC470074
0.8298 Intermediate Similarity NPC477926
0.8298 Intermediate Similarity NPC159046
0.8298 Intermediate Similarity NPC187376
0.8298 Intermediate Similarity NPC142415
0.8298 Intermediate Similarity NPC307426
0.8298 Intermediate Similarity NPC233836
0.8298 Intermediate Similarity NPC93778
0.8298 Intermediate Similarity NPC68160
0.8298 Intermediate Similarity NPC293564
0.8298 Intermediate Similarity NPC102683
0.8298 Intermediate Similarity NPC18064
0.8298 Intermediate Similarity NPC242468
0.8298 Intermediate Similarity NPC171203
0.8298 Intermediate Similarity NPC130577
0.8298 Intermediate Similarity NPC98442
0.8298 Intermediate Similarity NPC88716
0.8298 Intermediate Similarity NPC51700
0.8298 Intermediate Similarity NPC71507
0.8298 Intermediate Similarity NPC475740
0.8283 Intermediate Similarity NPC9613
0.8283 Intermediate Similarity NPC247139
0.8283 Intermediate Similarity NPC259788
0.8283 Intermediate Similarity NPC224356
0.8283 Intermediate Similarity NPC132753
0.8283 Intermediate Similarity NPC121402
0.8283 Intermediate Similarity NPC43686
0.8283 Intermediate Similarity NPC175351
0.8283 Intermediate Similarity NPC89225
0.8283 Intermediate Similarity NPC21728
0.8283 Intermediate Similarity NPC151681
0.8283 Intermediate Similarity NPC255589
0.8269 Intermediate Similarity NPC469844
0.8269 Intermediate Similarity NPC275539
0.8269 Intermediate Similarity NPC189075
0.8265 Intermediate Similarity NPC476174
0.8265 Intermediate Similarity NPC470016
0.8265 Intermediate Similarity NPC274417
0.8265 Intermediate Similarity NPC222845
0.8265 Intermediate Similarity NPC162001
0.8265 Intermediate Similarity NPC148523
0.8265 Intermediate Similarity NPC32118
0.8265 Intermediate Similarity NPC45324
0.8265 Intermediate Similarity NPC473240
0.8265 Intermediate Similarity NPC317586
0.8265 Intermediate Similarity NPC147232
0.8261 Intermediate Similarity NPC307258
0.8247 Intermediate Similarity NPC151722
0.8247 Intermediate Similarity NPC134826
0.8247 Intermediate Similarity NPC470224
0.8247 Intermediate Similarity NPC49776
0.8247 Intermediate Similarity NPC474436
0.8247 Intermediate Similarity NPC133579
0.8247 Intermediate Similarity NPC63118
0.8247 Intermediate Similarity NPC475255
0.8247 Intermediate Similarity NPC474806
0.8235 Intermediate Similarity NPC264048
0.8235 Intermediate Similarity NPC176883
0.8229 Intermediate Similarity NPC474728
0.8229 Intermediate Similarity NPC328141
0.8229 Intermediate Similarity NPC169933
0.8229 Intermediate Similarity NPC471896
0.8218 Intermediate Similarity NPC81530
0.8211 Intermediate Similarity NPC474719
0.8211 Intermediate Similarity NPC40552
0.8211 Intermediate Similarity NPC472802
0.8211 Intermediate Similarity NPC246708
0.8211 Intermediate Similarity NPC474474
0.8211 Intermediate Similarity NPC471722
0.8211 Intermediate Similarity NPC472739
0.82 Intermediate Similarity NPC111214
0.82 Intermediate Similarity NPC164349
0.82 Intermediate Similarity NPC29765

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC194196 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
0.8526 High Similarity NPD7515 Phase 2
0.8283 Intermediate Similarity NPD7902 Approved
0.8247 Intermediate Similarity NPD6399 Phase 3
0.8191 Intermediate Similarity NPD3618 Phase 1
0.8182 Intermediate Similarity NPD4697 Phase 3
0.8163 Intermediate Similarity NPD7748 Approved
0.8144 Intermediate Similarity NPD6079 Approved
0.8125 Intermediate Similarity NPD5328 Approved
0.8085 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD7900 Approved
0.798 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD4786 Approved
0.7959 Intermediate Similarity NPD8035 Phase 2
0.7959 Intermediate Similarity NPD8034 Phase 2
0.7925 Intermediate Similarity NPD6899 Approved
0.7925 Intermediate Similarity NPD6881 Approved
0.7905 Intermediate Similarity NPD5739 Approved
0.7905 Intermediate Similarity NPD6675 Approved
0.7905 Intermediate Similarity NPD6402 Approved
0.7905 Intermediate Similarity NPD7128 Approved
0.7879 Intermediate Similarity NPD4202 Approved
0.787 Intermediate Similarity NPD6650 Approved
0.787 Intermediate Similarity NPD6649 Approved
0.785 Intermediate Similarity NPD6373 Approved
0.785 Intermediate Similarity NPD6372 Approved
0.7835 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD5697 Approved
0.7822 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD5221 Approved
0.7822 Intermediate Similarity NPD5222 Approved
0.7789 Intermediate Similarity NPD3666 Approved
0.7789 Intermediate Similarity NPD3133 Approved
0.7789 Intermediate Similarity NPD3665 Phase 1
0.7778 Intermediate Similarity NPD7290 Approved
0.7778 Intermediate Similarity NPD7102 Approved
0.7778 Intermediate Similarity NPD6883 Approved
0.7767 Intermediate Similarity NPD5286 Approved
0.7767 Intermediate Similarity NPD4696 Approved
0.7767 Intermediate Similarity NPD5285 Approved
0.7766 Intermediate Similarity NPD3667 Approved
0.7757 Intermediate Similarity NPD6011 Approved
0.7757 Intermediate Similarity NPD7320 Approved
0.7745 Intermediate Similarity NPD6084 Phase 2
0.7745 Intermediate Similarity NPD6083 Phase 2
0.7745 Intermediate Similarity NPD5173 Approved
0.7745 Intermediate Similarity NPD4755 Approved
0.7706 Intermediate Similarity NPD8130 Phase 1
0.7706 Intermediate Similarity NPD6617 Approved
0.7706 Intermediate Similarity NPD6847 Approved
0.7706 Intermediate Similarity NPD6869 Approved
0.7692 Intermediate Similarity NPD5223 Approved
0.7685 Intermediate Similarity NPD6012 Approved
0.7685 Intermediate Similarity NPD6014 Approved
0.7685 Intermediate Similarity NPD6013 Approved
0.7679 Intermediate Similarity NPD7115 Discovery
0.767 Intermediate Similarity NPD7638 Approved
0.7664 Intermediate Similarity NPD5701 Approved
0.7653 Intermediate Similarity NPD5737 Approved
0.7653 Intermediate Similarity NPD6672 Approved
0.7636 Intermediate Similarity NPD6882 Approved
0.7636 Intermediate Similarity NPD8297 Approved
0.7629 Intermediate Similarity NPD7334 Approved
0.7629 Intermediate Similarity NPD7521 Approved
0.7629 Intermediate Similarity NPD5330 Approved
0.7629 Intermediate Similarity NPD7146 Approved
0.7629 Intermediate Similarity NPD6409 Approved
0.7629 Intermediate Similarity NPD6684 Approved
0.7629 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5224 Approved
0.7619 Intermediate Similarity NPD4633 Approved
0.7619 Intermediate Similarity NPD5226 Approved
0.7619 Intermediate Similarity NPD5225 Approved
0.7619 Intermediate Similarity NPD5211 Phase 2
0.76 Intermediate Similarity NPD5281 Approved
0.76 Intermediate Similarity NPD5284 Approved
0.7596 Intermediate Similarity NPD7639 Approved
0.7596 Intermediate Similarity NPD7640 Approved
0.7596 Intermediate Similarity NPD4700 Approved
0.7576 Intermediate Similarity NPD4753 Phase 2
0.7576 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD7525 Registered
0.7549 Intermediate Similarity NPD4629 Approved
0.7549 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD5210 Approved
0.7547 Intermediate Similarity NPD5174 Approved
0.7547 Intermediate Similarity NPD5175 Approved
0.7545 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5696 Approved
0.7477 Intermediate Similarity NPD5141 Approved
0.7475 Intermediate Similarity NPD6903 Approved
0.7449 Intermediate Similarity NPD5279 Phase 3
0.7419 Intermediate Similarity NPD6116 Phase 1
0.7411 Intermediate Similarity NPD4632 Approved
0.7407 Intermediate Similarity NPD6008 Approved
0.7396 Intermediate Similarity NPD4221 Approved
0.7396 Intermediate Similarity NPD4223 Phase 3
0.7383 Intermediate Similarity NPD4754 Approved
0.7379 Intermediate Similarity NPD5695 Phase 3
0.7368 Intermediate Similarity NPD4695 Discontinued
0.7347 Intermediate Similarity NPD5329 Approved
0.732 Intermediate Similarity NPD4788 Approved
0.7312 Intermediate Similarity NPD6117 Approved
0.7304 Intermediate Similarity NPD6335 Approved
0.7281 Intermediate Similarity NPD6274 Approved
0.7281 Intermediate Similarity NPD6868 Approved
0.7273 Intermediate Similarity NPD4729 Approved
0.7273 Intermediate Similarity NPD5128 Approved
0.7273 Intermediate Similarity NPD4730 Approved
0.7248 Intermediate Similarity NPD4768 Approved
0.7248 Intermediate Similarity NPD4767 Approved
0.7245 Intermediate Similarity NPD3668 Phase 3
0.7245 Intermediate Similarity NPD4197 Approved
0.7241 Intermediate Similarity NPD7100 Approved
0.7241 Intermediate Similarity NPD7101 Approved
0.7228 Intermediate Similarity NPD6904 Approved
0.7228 Intermediate Similarity NPD6673 Approved
0.7228 Intermediate Similarity NPD6080 Approved
0.7217 Intermediate Similarity NPD6009 Approved
0.7217 Intermediate Similarity NPD6317 Approved
0.7204 Intermediate Similarity NPD7339 Approved
0.7204 Intermediate Similarity NPD6942 Approved
0.72 Intermediate Similarity NPD3573 Approved
0.7182 Intermediate Similarity NPD6412 Phase 2
0.717 Intermediate Similarity NPD4225 Approved
0.7167 Intermediate Similarity NPD7507 Approved
0.7158 Intermediate Similarity NPD6697 Approved
0.7158 Intermediate Similarity NPD6118 Approved
0.7158 Intermediate Similarity NPD6115 Approved
0.7158 Intermediate Similarity NPD6114 Approved
0.7155 Intermediate Similarity NPD6313 Approved
0.7155 Intermediate Similarity NPD6314 Approved
0.7143 Intermediate Similarity NPD7614 Phase 1
0.7143 Intermediate Similarity NPD5169 Approved
0.7143 Intermediate Similarity NPD5135 Approved
0.7143 Intermediate Similarity NPD5247 Approved
0.7143 Intermediate Similarity NPD5251 Approved
0.7143 Intermediate Similarity NPD4634 Approved
0.7143 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5249 Phase 3
0.7143 Intermediate Similarity NPD5248 Approved
0.7143 Intermediate Similarity NPD5250 Approved
0.7119 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5168 Approved
0.7115 Intermediate Similarity NPD6001 Approved
0.71 Intermediate Similarity NPD4693 Phase 3
0.71 Intermediate Similarity NPD4690 Approved
0.71 Intermediate Similarity NPD5205 Approved
0.71 Intermediate Similarity NPD5690 Phase 2
0.71 Intermediate Similarity NPD4689 Approved
0.71 Intermediate Similarity NPD4688 Approved
0.71 Intermediate Similarity NPD4138 Approved
0.7097 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD6411 Approved
0.7083 Intermediate Similarity NPD7645 Phase 2
0.708 Intermediate Similarity NPD5127 Approved
0.708 Intermediate Similarity NPD5215 Approved
0.708 Intermediate Similarity NPD5216 Approved
0.708 Intermediate Similarity NPD5217 Approved
0.7049 Intermediate Similarity NPD7736 Approved
0.7041 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6319 Approved
0.7 Intermediate Similarity NPD7604 Phase 2
0.7 Intermediate Similarity NPD1694 Approved
0.6992 Remote Similarity NPD7319 Approved
0.6979 Remote Similarity NPD3617 Approved
0.6975 Remote Similarity NPD6909 Approved
0.6975 Remote Similarity NPD6908 Approved
0.6975 Remote Similarity NPD5983 Phase 2
0.6972 Remote Similarity NPD7632 Discontinued
0.6964 Remote Similarity NPD6686 Approved
0.6961 Remote Similarity NPD5208 Approved
0.6947 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7492 Approved
0.6931 Remote Similarity NPD4694 Approved
0.6931 Remote Similarity NPD6098 Approved
0.6931 Remote Similarity NPD4623 Approved
0.6931 Remote Similarity NPD5280 Approved
0.6931 Remote Similarity NPD4519 Discontinued
0.6923 Remote Similarity NPD5693 Phase 1
0.6923 Remote Similarity NPD6050 Approved
0.6907 Remote Similarity NPD4195 Approved
0.6897 Remote Similarity NPD5167 Approved
0.6893 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6101 Approved
0.6891 Remote Similarity NPD6054 Approved
0.6885 Remote Similarity NPD6336 Discontinued
0.6885 Remote Similarity NPD6616 Approved
0.686 Remote Similarity NPD8328 Phase 3
0.6837 Remote Similarity NPD7509 Discontinued
0.6832 Remote Similarity NPD5363 Approved
0.6829 Remote Similarity NPD7078 Approved
0.6827 Remote Similarity NPD5692 Phase 3
0.6827 Remote Similarity NPD5207 Approved
0.6827 Remote Similarity NPD5785 Approved
0.6822 Remote Similarity NPD7732 Phase 3
0.6804 Remote Similarity NPD5784 Clinical (unspecified phase)
0.68 Remote Similarity NPD5362 Discontinued
0.6789 Remote Similarity NPD6404 Discontinued
0.6777 Remote Similarity NPD6370 Approved
0.6774 Remote Similarity NPD4747 Approved

Structure

External Identifiers

PubChem CID   76321490
ChEMBL   CHEMBL3114759
ZINC  

Physicochemical Properties

Molecular Weight:  468.32
ALogP:  2.114
MLogP:  4.32
XLogP:  6.47
# Rotatable Bonds:  11
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  34

Download Data

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