Natural Product: NPC471433

Natural Product ID:  NPC471433
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H56O4
Standard InCHIKey:  HEBBXXAVGNXUJI-WJKHXOIUSA-N
Standard InCHI:  InChI=1S/C34H56O4/c1-8-9-18-37-28-30(4)16-17-34(21-38-28)23(19-30)22-10-11-25-31(5)14-13-26(35)29(2,3)24(31)12-15-32(25,6)33(22,7)20-27(34)36/h10,23-28,35-36H,8-9,11-21H2,1-7H3/t23-,24-,25+,26-,27+,28+,30-,31-,32+,33+,34+/m0/s1
Canonical SMILES:  CCCCO[C@@H]1OC[C@]23CC[C@@]1(C)C[C@H]2C1=CC[C@H]2[C@@]([C@@]1(C[C@H]3O)C)(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(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
NPO32586 ardisia gigantifolia stapf. Species Primulaceae Eukaryota PMID[24095094]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 10.1016/S0960-894X(01)80948-3
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 11590 nM 22530813
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 100000 nM 22472691

  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 NPC471433 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 NPC471432
0.875 High Similarity NPC471435
0.875 High Similarity NPC471434
0.8632 High Similarity NPC263756
0.8632 High Similarity NPC117714
0.8571 High Similarity NPC98386
0.8571 High Similarity NPC196753
0.8571 High Similarity NPC158662
0.8571 High Similarity NPC253807
0.8571 High Similarity NPC230295
0.8542 High Similarity NPC213674
0.8542 High Similarity NPC76497
0.8542 High Similarity NPC256133
0.8542 High Similarity NPC30289
0.8523 High Similarity NPC191965
0.8471 Intermediate Similarity NPC53744
0.8454 Intermediate Similarity NPC473124
0.8454 Intermediate Similarity NPC473123
0.8454 Intermediate Similarity NPC123796
0.8454 Intermediate Similarity NPC162354
0.8452 Intermediate Similarity NPC157996
0.8452 Intermediate Similarity NPC34177
0.8452 Intermediate Similarity NPC40394
0.8452 Intermediate Similarity NPC101475
0.8427 Intermediate Similarity NPC84121
0.8427 Intermediate Similarity NPC137306
0.8391 Intermediate Similarity NPC47763
0.8387 Intermediate Similarity NPC305160
0.8367 Intermediate Similarity NPC473734
0.8367 Intermediate Similarity NPC173583
0.8367 Intermediate Similarity NPC230948
0.8367 Intermediate Similarity NPC110656
0.8367 Intermediate Similarity NPC203354
0.8367 Intermediate Similarity NPC148603
0.8367 Intermediate Similarity NPC473127
0.8353 Intermediate Similarity NPC470396
0.8353 Intermediate Similarity NPC99168
0.8353 Intermediate Similarity NPC22955
0.8353 Intermediate Similarity NPC474989
0.8353 Intermediate Similarity NPC300499
0.8333 Intermediate Similarity NPC120098
0.8333 Intermediate Similarity NPC27765
0.8333 Intermediate Similarity NPC122418
0.8333 Intermediate Similarity NPC473790
0.8333 Intermediate Similarity NPC265328
0.8333 Intermediate Similarity NPC146188
0.8333 Intermediate Similarity NPC30590
0.8333 Intermediate Similarity NPC290598
0.8316 Intermediate Similarity NPC158347
0.8295 Intermediate Similarity NPC159168
0.8295 Intermediate Similarity NPC253402
0.8283 Intermediate Similarity NPC138057
0.8283 Intermediate Similarity NPC470512
0.8283 Intermediate Similarity NPC173859
0.828 Intermediate Similarity NPC86368
0.8276 Intermediate Similarity NPC116202
0.8276 Intermediate Similarity NPC242350
0.8265 Intermediate Similarity NPC99627
0.8265 Intermediate Similarity NPC473129
0.8256 Intermediate Similarity NPC291379
0.8235 Intermediate Similarity NPC472805
0.8235 Intermediate Similarity NPC90979
0.8229 Intermediate Similarity NPC234287
0.8229 Intermediate Similarity NPC280825
0.8214 Intermediate Similarity NPC34700
0.8214 Intermediate Similarity NPC138374
0.8202 Intermediate Similarity NPC238992
0.82 Intermediate Similarity NPC281939
0.82 Intermediate Similarity NPC473538
0.82 Intermediate Similarity NPC78034
0.82 Intermediate Similarity NPC283849
0.8191 Intermediate Similarity NPC477927
0.8191 Intermediate Similarity NPC72817
0.8182 Intermediate Similarity NPC286786
0.8182 Intermediate Similarity NPC54521
0.8182 Intermediate Similarity NPC57065
0.8182 Intermediate Similarity NPC109792
0.8182 Intermediate Similarity NPC304285
0.8163 Intermediate Similarity NPC159036
0.8163 Intermediate Similarity NPC288694
0.8163 Intermediate Similarity NPC312553
0.8161 Intermediate Similarity NPC295131
0.8144 Intermediate Similarity NPC473200
0.8144 Intermediate Similarity NPC282669
0.8144 Intermediate Similarity NPC7341
0.8119 Intermediate Similarity NPC28198
0.8119 Intermediate Similarity NPC177246
0.8119 Intermediate Similarity NPC476123
0.8119 Intermediate Similarity NPC284807
0.8118 Intermediate Similarity NPC106364
0.8105 Intermediate Similarity NPC100892
0.8105 Intermediate Similarity NPC477969
0.8105 Intermediate Similarity NPC477970
0.8105 Intermediate Similarity NPC135224
0.81 Intermediate Similarity NPC475611
0.8095 Intermediate Similarity NPC100334
0.809 Intermediate Similarity NPC237795
0.809 Intermediate Similarity NPC132386
0.809 Intermediate Similarity NPC82538
0.8081 Intermediate Similarity NPC211879
0.8081 Intermediate Similarity NPC245280
0.8081 Intermediate Similarity NPC473020
0.8081 Intermediate Similarity NPC8039
0.8081 Intermediate Similarity NPC157659
0.8081 Intermediate Similarity NPC31907
0.8081 Intermediate Similarity NPC472252
0.8081 Intermediate Similarity NPC16520
0.8081 Intermediate Similarity NPC286969
0.8081 Intermediate Similarity NPC131479
0.8081 Intermediate Similarity NPC114874
0.8081 Intermediate Similarity NPC189852
0.8081 Intermediate Similarity NPC120123
0.8081 Intermediate Similarity NPC155010
0.8081 Intermediate Similarity NPC16573
0.8068 Intermediate Similarity NPC290495
0.8068 Intermediate Similarity NPC195334
0.8065 Intermediate Similarity NPC120840
0.8065 Intermediate Similarity NPC113989
0.8061 Intermediate Similarity NPC129372
0.8061 Intermediate Similarity NPC88000
0.8061 Intermediate Similarity NPC309425
0.8061 Intermediate Similarity NPC4831
0.8061 Intermediate Similarity NPC160734
0.8061 Intermediate Similarity NPC472023
0.8061 Intermediate Similarity NPC47566
0.8039 Intermediate Similarity NPC204407
0.8039 Intermediate Similarity NPC167383
0.8039 Intermediate Similarity NPC127853
0.8039 Intermediate Similarity NPC57362
0.8039 Intermediate Similarity NPC237503
0.8039 Intermediate Similarity NPC306746
0.8022 Intermediate Similarity NPC237344
0.802 Intermediate Similarity NPC257964
0.8 Intermediate Similarity NPC273879
0.8 Intermediate Similarity NPC187400
0.8 Intermediate Similarity NPC23621
0.8 Intermediate Similarity NPC215700
0.8 Intermediate Similarity NPC319238
0.8 Intermediate Similarity NPC78580
0.8 Intermediate Similarity NPC46320
0.8 Intermediate Similarity NPC184006
0.8 Intermediate Similarity NPC189513
0.8 Intermediate Similarity NPC211238
0.8 Intermediate Similarity NPC165033
0.8 Intermediate Similarity NPC221562
0.8 Intermediate Similarity NPC470885
0.798 Intermediate Similarity NPC136816
0.7979 Intermediate Similarity NPC285184
0.7979 Intermediate Similarity NPC470590
0.7979 Intermediate Similarity NPC77099
0.7979 Intermediate Similarity NPC60755
0.7961 Intermediate Similarity NPC476884
0.7961 Intermediate Similarity NPC242611
0.7961 Intermediate Similarity NPC102914
0.7961 Intermediate Similarity NPC56713
0.7961 Intermediate Similarity NPC279554
0.7961 Intermediate Similarity NPC270667
0.7961 Intermediate Similarity NPC476886
0.7961 Intermediate Similarity NPC476883
0.7961 Intermediate Similarity NPC199457
0.7961 Intermediate Similarity NPC127056
0.7961 Intermediate Similarity NPC476887
0.7961 Intermediate Similarity NPC29069
0.7961 Intermediate Similarity NPC136877
0.7961 Intermediate Similarity NPC475296
0.7961 Intermediate Similarity NPC476880
0.7961 Intermediate Similarity NPC75747
0.7961 Intermediate Similarity NPC274507
0.7961 Intermediate Similarity NPC164194
0.7961 Intermediate Similarity NPC90856
0.7961 Intermediate Similarity NPC474589
0.7961 Intermediate Similarity NPC59804
0.7961 Intermediate Similarity NPC476882
0.7961 Intermediate Similarity NPC476881
0.7961 Intermediate Similarity NPC108709
0.7961 Intermediate Similarity NPC110139
0.7961 Intermediate Similarity NPC68419
0.7961 Intermediate Similarity NPC7870
0.7961 Intermediate Similarity NPC476885
0.7961 Intermediate Similarity NPC174679
0.7959 Intermediate Similarity NPC64348
0.7957 Intermediate Similarity NPC225585
0.7957 Intermediate Similarity NPC121798
0.7957 Intermediate Similarity NPC234346
0.7957 Intermediate Similarity NPC263393
0.7957 Intermediate Similarity NPC130520
0.7957 Intermediate Similarity NPC30522
0.7957 Intermediate Similarity NPC293048
0.7957 Intermediate Similarity NPC61543
0.7957 Intermediate Similarity NPC473058
0.7957 Intermediate Similarity NPC127689
0.7957 Intermediate Similarity NPC270768
0.7957 Intermediate Similarity NPC59263
0.7941 Intermediate Similarity NPC38376
0.7941 Intermediate Similarity NPC126147
0.7941 Intermediate Similarity NPC80210
0.7938 Intermediate Similarity NPC476878
0.7938 Intermediate Similarity NPC243728
0.7938 Intermediate Similarity NPC473890
0.7938 Intermediate Similarity NPC476879

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471433 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
0.869 High Similarity NPD7645 Phase 2
0.7812 Intermediate Similarity NPD7748 Approved
0.7604 Intermediate Similarity NPD7515 Phase 2
0.7576 Intermediate Similarity NPD7902 Approved
0.7556 Intermediate Similarity NPD7525 Registered
0.7273 Intermediate Similarity NPD7900 Approved
0.7273 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7339 Approved
0.7191 Intermediate Similarity NPD6942 Approved
0.713 Intermediate Similarity NPD8328 Phase 3
0.7111 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD8294 Approved
0.7018 Intermediate Similarity NPD8377 Approved
0.7009 Intermediate Similarity NPD6412 Phase 2
0.6957 Remote Similarity NPD8379 Approved
0.6957 Remote Similarity NPD8335 Approved
0.6957 Remote Similarity NPD8296 Approved
0.6957 Remote Similarity NPD8378 Approved
0.6957 Remote Similarity NPD8033 Approved
0.6957 Remote Similarity NPD8380 Approved
0.69 Remote Similarity NPD8034 Phase 2
0.69 Remote Similarity NPD8035 Phase 2
0.6842 Remote Similarity NPD7328 Approved
0.6842 Remote Similarity NPD7327 Approved
0.6827 Remote Similarity NPD7638 Approved
0.6804 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7516 Approved
0.6762 Remote Similarity NPD7640 Approved
0.6762 Remote Similarity NPD7639 Approved
0.6735 Remote Similarity NPD3618 Phase 1
0.6701 Remote Similarity NPD4786 Approved
0.67 Remote Similarity NPD5328 Approved
0.6696 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD3667 Approved
0.6637 Remote Similarity NPD8133 Approved
0.663 Remote Similarity NPD8264 Approved
0.6612 Remote Similarity NPD7736 Approved
0.6606 Remote Similarity NPD5739 Approved
0.6606 Remote Similarity NPD6675 Approved
0.6606 Remote Similarity NPD7128 Approved
0.6606 Remote Similarity NPD6402 Approved
0.6598 Remote Similarity NPD6695 Phase 3
0.6569 Remote Similarity NPD6079 Approved
0.6531 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6924 Approved
0.6522 Remote Similarity NPD6926 Approved
0.6505 Remote Similarity NPD8171 Discontinued
0.65 Remote Similarity NPD7750 Discontinued
0.6486 Remote Similarity NPD6686 Approved
0.6486 Remote Similarity NPD6899 Approved
0.6486 Remote Similarity NPD6881 Approved
0.6486 Remote Similarity NPD7320 Approved
0.6484 Remote Similarity NPD4243 Approved
0.6471 Remote Similarity NPD6370 Approved
0.646 Remote Similarity NPD8130 Phase 1
0.6446 Remote Similarity NPD7507 Approved
0.6436 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6372 Approved
0.6429 Remote Similarity NPD6373 Approved
0.6415 Remote Similarity NPD6084 Phase 2
0.6415 Remote Similarity NPD6083 Phase 2
0.6415 Remote Similarity NPD4755 Approved
0.6408 Remote Similarity NPD6411 Approved
0.6404 Remote Similarity NPD8297 Approved
0.6396 Remote Similarity NPD5697 Approved
0.6396 Remote Similarity NPD5701 Approved
0.6393 Remote Similarity NPD8293 Discontinued
0.6383 Remote Similarity NPD6933 Approved
0.6372 Remote Similarity NPD7290 Approved
0.6372 Remote Similarity NPD7102 Approved
0.6372 Remote Similarity NPD6883 Approved
0.6364 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3133 Approved
0.6364 Remote Similarity NPD3665 Phase 1
0.6364 Remote Similarity NPD3666 Approved
0.6355 Remote Similarity NPD4225 Approved
0.6354 Remote Similarity NPD6929 Approved
0.6346 Remote Similarity NPD4202 Approved
0.6344 Remote Similarity NPD4785 Approved
0.6344 Remote Similarity NPD4784 Approved
0.6337 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6337 Remote Similarity NPD7524 Approved
0.6321 Remote Similarity NPD5221 Approved
0.6321 Remote Similarity NPD4697 Phase 3
0.6321 Remote Similarity NPD5222 Approved
0.6321 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6617 Approved
0.6316 Remote Similarity NPD6847 Approved
0.6316 Remote Similarity NPD6649 Approved
0.6316 Remote Similarity NPD6869 Approved
0.6316 Remote Similarity NPD6650 Approved
0.6304 Remote Similarity NPD7150 Approved
0.6304 Remote Similarity NPD7151 Approved
0.6304 Remote Similarity NPD7152 Approved
0.6303 Remote Similarity NPD6054 Approved
0.6303 Remote Similarity NPD6059 Approved
0.6296 Remote Similarity NPD4700 Approved
0.6296 Remote Similarity NPD5285 Approved
0.6296 Remote Similarity NPD5286 Approved
0.6296 Remote Similarity NPD4696 Approved
0.629 Remote Similarity NPD7319 Approved
0.6289 Remote Similarity NPD7509 Discontinued
0.6289 Remote Similarity NPD4748 Discontinued
0.6289 Remote Similarity NPD6930 Phase 2
0.6289 Remote Similarity NPD6928 Phase 2
0.6289 Remote Similarity NPD6931 Approved
0.6283 Remote Similarity NPD6014 Approved
0.6283 Remote Similarity NPD6013 Approved
0.6283 Remote Similarity NPD6012 Approved
0.6281 Remote Similarity NPD6067 Discontinued
0.6264 Remote Similarity NPD6922 Approved
0.6264 Remote Similarity NPD6923 Approved
0.6264 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5173 Approved
0.6238 Remote Similarity NPD6684 Approved
0.6238 Remote Similarity NPD7334 Approved
0.6238 Remote Similarity NPD7521 Approved
0.6238 Remote Similarity NPD7146 Approved
0.6238 Remote Similarity NPD6409 Approved
0.6238 Remote Similarity NPD5330 Approved
0.6214 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6051 Approved
0.6214 Remote Similarity NPD4753 Phase 2
0.6214 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6101 Approved
0.62 Remote Similarity NPD3668 Phase 3
0.6196 Remote Similarity NPD7143 Approved
0.6196 Remote Similarity NPD7144 Approved
0.6195 Remote Similarity NPD6011 Approved
0.6186 Remote Similarity NPD7115 Discovery
0.6182 Remote Similarity NPD5224 Approved
0.6182 Remote Similarity NPD7632 Discontinued
0.6182 Remote Similarity NPD5211 Phase 2
0.6182 Remote Similarity NPD5225 Approved
0.6182 Remote Similarity NPD5226 Approved
0.6182 Remote Similarity NPD4633 Approved
0.6176 Remote Similarity NPD3573 Approved
0.6174 Remote Similarity NPD6401 Clinical (unspecified phase)
0.617 Remote Similarity NPD1810 Approved
0.617 Remote Similarity NPD1811 Approved
0.6146 Remote Similarity NPD6932 Approved
0.6146 Remote Similarity NPD5776 Phase 2
0.6146 Remote Similarity NPD6925 Approved
0.6142 Remote Similarity NPD8449 Approved
0.6126 Remote Similarity NPD5175 Approved
0.6126 Remote Similarity NPD5174 Approved
0.6117 Remote Similarity NPD6672 Approved
0.6117 Remote Similarity NPD6903 Approved
0.6117 Remote Similarity NPD5737 Approved
0.6116 Remote Similarity NPD6016 Approved
0.6116 Remote Similarity NPD6015 Approved
0.6105 Remote Similarity NPD4190 Phase 3
0.6105 Remote Similarity NPD5275 Approved
0.6098 Remote Similarity NPD7492 Approved
0.6095 Remote Similarity NPD7087 Discontinued
0.6094 Remote Similarity NPD8450 Suspended
0.6091 Remote Similarity NPD5223 Approved
0.6082 Remote Similarity NPD7145 Approved
0.6075 Remote Similarity NPD5695 Phase 3
0.6071 Remote Similarity NPD5141 Approved
0.6066 Remote Similarity NPD5988 Approved
0.6055 Remote Similarity NPD5290 Discontinued
0.6055 Remote Similarity NPD5696 Approved
0.605 Remote Similarity NPD6009 Approved
0.6048 Remote Similarity NPD6616 Approved
0.602 Remote Similarity NPD4195 Approved
0.602 Remote Similarity NPD6683 Phase 2
0.6018 Remote Similarity NPD4768 Approved
0.6018 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD3168 Discontinued
0.6 Remote Similarity NPD7078 Approved
0.5984 Remote Similarity NPD8517 Approved
0.5984 Remote Similarity NPD8516 Approved
0.5984 Remote Similarity NPD8515 Approved
0.5984 Remote Similarity NPD8513 Phase 3
0.5982 Remote Similarity NPD4754 Approved
0.598 Remote Similarity NPD6893 Approved
0.5966 Remote Similarity NPD6274 Approved
0.5966 Remote Similarity NPD6868 Approved
0.596 Remote Similarity NPD7332 Phase 2
0.596 Remote Similarity NPD4695 Discontinued
0.596 Remote Similarity NPD7514 Phase 3
0.595 Remote Similarity NPD7100 Approved
0.595 Remote Similarity NPD7101 Approved
0.5946 Remote Similarity NPD4159 Approved
0.5943 Remote Similarity NPD7637 Suspended
0.5929 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4629 Approved
0.5926 Remote Similarity NPD5210 Approved
0.5926 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5922 Remote Similarity NPD5279 Phase 3
0.5922 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5918 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4729 Approved
0.5913 Remote Similarity NPD5128 Approved
0.5913 Remote Similarity NPD4730 Approved

Structure

External Identifiers

PubChem CID   72544337
ChEMBL   CHEMBL2442990
ZINC  

Physicochemical Properties

Molecular Weight:  528.42
ALogP:  0.477
MLogP:  4.76
XLogP:  8.072
# Rotatable Bonds:  13
Polar Surface Area:  58.92
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  38

Download Data

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