Natural Product: NPC472224

Natural Product ID:  NPC472224
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O4
Standard InCHIKey:  NIUCEBZXUKPYSV-ZZTOGIBMSA-N
Standard InCHI:  InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h8,18-20,22H,9-17H2,1-7H3/t18-,19-,20-,22+,26-,27+,28+,29+,30-/m1/s1
Canonical SMILES:  C[C@@H]1C[C@@]2(OC1=O)C[C@H]([C@]1(O2)CC[C@@]2([C@]1(C)CC[C@@H]1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)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
NPO33399 abies faxoniana Species Pinaceae Eukaryota PMID[25554367]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 15500 nM 24491635
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 20700 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 13500 nM 17067161
NPT65 Cell Line HepG2 Homo sapiens IC50 = 14100 nM 25630222

  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 NPC472224 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 NPC472223
0.9222 High Similarity NPC472226
0.9222 High Similarity NPC472225
0.8866 High Similarity NPC472227
0.8866 High Similarity NPC472228
0.8778 High Similarity NPC28227
0.8652 High Similarity NPC470223
0.8526 High Similarity NPC322063
0.8478 Intermediate Similarity NPC305039
0.8409 Intermediate Similarity NPC472230
0.8409 Intermediate Similarity NPC472229
0.8333 Intermediate Similarity NPC100391
0.8298 Intermediate Similarity NPC150383
0.8298 Intermediate Similarity NPC154101
0.8247 Intermediate Similarity NPC475894
0.8247 Intermediate Similarity NPC187159
0.8182 Intermediate Similarity NPC118987
0.8163 Intermediate Similarity NPC153792
0.8163 Intermediate Similarity NPC271387
0.8152 Intermediate Similarity NPC195640
0.8119 Intermediate Similarity NPC164835
0.8119 Intermediate Similarity NPC228669
0.8111 Intermediate Similarity NPC240302
0.809 Intermediate Similarity NPC170038
0.8065 Intermediate Similarity NPC167877
0.8061 Intermediate Similarity NPC107243
0.8061 Intermediate Similarity NPC57416
0.8043 Intermediate Similarity NPC323765
0.8041 Intermediate Similarity NPC469599
0.8039 Intermediate Similarity NPC127790
0.802 Intermediate Similarity NPC140723
0.8 Intermediate Similarity NPC147066
0.8 Intermediate Similarity NPC232625
0.7912 Intermediate Similarity NPC133391
0.7895 Intermediate Similarity NPC215029
0.7895 Intermediate Similarity NPC476733
0.7895 Intermediate Similarity NPC473039
0.7895 Intermediate Similarity NPC474570
0.7895 Intermediate Similarity NPC54689
0.7872 Intermediate Similarity NPC136948
0.7843 Intermediate Similarity NPC36321
0.7835 Intermediate Similarity NPC277721
0.7835 Intermediate Similarity NPC267266
0.7835 Intermediate Similarity NPC152897
0.7835 Intermediate Similarity NPC470376
0.7835 Intermediate Similarity NPC66429
0.7835 Intermediate Similarity NPC470224
0.7835 Intermediate Similarity NPC243866
0.7835 Intermediate Similarity NPC470375
0.7826 Intermediate Similarity NPC477852
0.7826 Intermediate Similarity NPC477373
0.7822 Intermediate Similarity NPC474327
0.7812 Intermediate Similarity NPC171441
0.7802 Intermediate Similarity NPC38350
0.7802 Intermediate Similarity NPC201912
0.78 Intermediate Similarity NPC176845
0.7789 Intermediate Similarity NPC294480
0.7778 Intermediate Similarity NPC155676
0.7778 Intermediate Similarity NPC471398
0.7778 Intermediate Similarity NPC477371
0.7767 Intermediate Similarity NPC121566
0.7767 Intermediate Similarity NPC100955
0.7766 Intermediate Similarity NPC264127
0.7766 Intermediate Similarity NPC470051
0.7766 Intermediate Similarity NPC470050
0.7755 Intermediate Similarity NPC294266
0.7745 Intermediate Similarity NPC473928
0.7745 Intermediate Similarity NPC22388
0.7723 Intermediate Similarity NPC218383
0.7717 Intermediate Similarity NPC100297
0.7717 Intermediate Similarity NPC320514
0.7717 Intermediate Similarity NPC321289
0.7717 Intermediate Similarity NPC260956
0.7717 Intermediate Similarity NPC476458
0.7717 Intermediate Similarity NPC193347
0.7717 Intermediate Similarity NPC327969
0.7717 Intermediate Similarity NPC258153
0.7714 Intermediate Similarity NPC258323
0.7708 Intermediate Similarity NPC262043
0.7708 Intermediate Similarity NPC474679
0.7692 Intermediate Similarity NPC95243
0.7692 Intermediate Similarity NPC63023
0.7692 Intermediate Similarity NPC470309
0.7684 Intermediate Similarity NPC265580
0.7684 Intermediate Similarity NPC312215
0.7684 Intermediate Similarity NPC96496
0.7677 Intermediate Similarity NPC263347
0.7677 Intermediate Similarity NPC69548
0.7677 Intermediate Similarity NPC184848
0.766 Intermediate Similarity NPC474218
0.766 Intermediate Similarity NPC29447
0.7653 Intermediate Similarity NPC470656
0.7634 Intermediate Similarity NPC167103
0.7634 Intermediate Similarity NPC69279
0.7634 Intermediate Similarity NPC83569
0.7629 Intermediate Similarity NPC471896
0.7624 Intermediate Similarity NPC477813
0.7619 Intermediate Similarity NPC220974
0.7609 Intermediate Similarity NPC477372
0.7609 Intermediate Similarity NPC474955
0.7604 Intermediate Similarity NPC183546
0.7604 Intermediate Similarity NPC474845
0.7604 Intermediate Similarity NPC472220
0.7604 Intermediate Similarity NPC97884
0.7582 Intermediate Similarity NPC215843
0.7579 Intermediate Similarity NPC212843
0.7576 Intermediate Similarity NPC159410
0.7576 Intermediate Similarity NPC56525
0.7573 Intermediate Similarity NPC308351
0.7573 Intermediate Similarity NPC271266
0.757 Intermediate Similarity NPC101450
0.7556 Intermediate Similarity NPC472300
0.7553 Intermediate Similarity NPC320801
0.7553 Intermediate Similarity NPC156981
0.7553 Intermediate Similarity NPC472480
0.7553 Intermediate Similarity NPC82902
0.7553 Intermediate Similarity NPC144258
0.7551 Intermediate Similarity NPC218301
0.7551 Intermediate Similarity NPC23434
0.7549 Intermediate Similarity NPC167974
0.7547 Intermediate Similarity NPC61411
0.7526 Intermediate Similarity NPC477943
0.7526 Intermediate Similarity NPC472234
0.7526 Intermediate Similarity NPC472233
0.7526 Intermediate Similarity NPC285982
0.7526 Intermediate Similarity NPC155479
0.7525 Intermediate Similarity NPC292133
0.7525 Intermediate Similarity NPC476253
0.7525 Intermediate Similarity NPC204054
0.7525 Intermediate Similarity NPC23680
0.7525 Intermediate Similarity NPC257726
0.7524 Intermediate Similarity NPC196528
0.7523 Intermediate Similarity NPC178981
0.75 Intermediate Similarity NPC222845
0.75 Intermediate Similarity NPC280877
0.75 Intermediate Similarity NPC45324
0.75 Intermediate Similarity NPC267517
0.75 Intermediate Similarity NPC128644
0.75 Intermediate Similarity NPC171395
0.75 Intermediate Similarity NPC162001
0.75 Intermediate Similarity NPC317590
0.75 Intermediate Similarity NPC37038
0.7475 Intermediate Similarity NPC141497
0.7475 Intermediate Similarity NPC107674
0.7475 Intermediate Similarity NPC170220
0.7475 Intermediate Similarity NPC475700
0.7474 Intermediate Similarity NPC269638
0.7473 Intermediate Similarity NPC63020
0.7473 Intermediate Similarity NPC321514
0.7453 Intermediate Similarity NPC59530
0.7451 Intermediate Similarity NPC186810
0.7451 Intermediate Similarity NPC309493
0.7451 Intermediate Similarity NPC252295
0.7449 Intermediate Similarity NPC46281
0.7449 Intermediate Similarity NPC175628
0.7449 Intermediate Similarity NPC320026
0.7449 Intermediate Similarity NPC111585
0.7449 Intermediate Similarity NPC123854
0.7449 Intermediate Similarity NPC148414
0.7449 Intermediate Similarity NPC76286
0.7447 Intermediate Similarity NPC470047
0.7447 Intermediate Similarity NPC469561
0.7447 Intermediate Similarity NPC271784
0.7447 Intermediate Similarity NPC168188
0.7447 Intermediate Similarity NPC470015
0.7447 Intermediate Similarity NPC470046
0.7447 Intermediate Similarity NPC170862
0.7436 Intermediate Similarity NPC473888
0.7429 Intermediate Similarity NPC119493
0.7429 Intermediate Similarity NPC255309
0.7429 Intermediate Similarity NPC235889
0.7429 Intermediate Similarity NPC471293
0.7426 Intermediate Similarity NPC307164
0.7426 Intermediate Similarity NPC42042
0.7426 Intermediate Similarity NPC111684
0.7426 Intermediate Similarity NPC58052
0.7423 Intermediate Similarity NPC470417
0.7423 Intermediate Similarity NPC247406
0.7423 Intermediate Similarity NPC470613
0.7423 Intermediate Similarity NPC470612
0.7423 Intermediate Similarity NPC48866
0.7419 Intermediate Similarity NPC278459
0.7419 Intermediate Similarity NPC327002
0.7416 Intermediate Similarity NPC166797
0.7407 Intermediate Similarity NPC163314
0.7407 Intermediate Similarity NPC114961
0.7407 Intermediate Similarity NPC27551
0.74 Intermediate Similarity NPC41649
0.74 Intermediate Similarity NPC7165
0.74 Intermediate Similarity NPC67831
0.74 Intermediate Similarity NPC174051
0.7396 Intermediate Similarity NPC286153
0.7396 Intermediate Similarity NPC244174
0.7396 Intermediate Similarity NPC155011
0.7396 Intermediate Similarity NPC469994
0.7391 Intermediate Similarity NPC153987
0.7391 Intermediate Similarity NPC231431
0.7391 Intermediate Similarity NPC44083
0.7391 Intermediate Similarity NPC471475
0.7391 Intermediate Similarity NPC158846

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472224 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
0.8617 High Similarity NPD6356 Clinical (unspecified phase)
0.8556 High Similarity NPD6098 Approved
0.8478 Intermediate Similarity NPD6080 Approved
0.8478 Intermediate Similarity NPD6673 Approved
0.8478 Intermediate Similarity NPD6904 Approved
0.8387 Intermediate Similarity NPD5207 Approved
0.8316 Intermediate Similarity NPD6001 Approved
0.8172 Intermediate Similarity NPD6903 Approved
0.8172 Intermediate Similarity NPD5208 Approved
0.8152 Intermediate Similarity NPD6684 Approved
0.8152 Intermediate Similarity NPD7521 Approved
0.8152 Intermediate Similarity NPD6409 Approved
0.8152 Intermediate Similarity NPD5330 Approved
0.8152 Intermediate Similarity NPD7334 Approved
0.8152 Intermediate Similarity NPD7146 Approved
0.8105 Intermediate Similarity NPD6050 Approved
0.8105 Intermediate Similarity NPD5693 Phase 1
0.8021 Intermediate Similarity NPD6399 Phase 3
0.802 Intermediate Similarity NPD6052 Approved
0.8 Intermediate Similarity NPD5692 Phase 3
0.7979 Intermediate Similarity NPD5737 Approved
0.7979 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD6672 Approved
0.7917 Intermediate Similarity NPD5284 Approved
0.7917 Intermediate Similarity NPD5694 Approved
0.7917 Intermediate Similarity NPD5281 Approved
0.7879 Intermediate Similarity NPD6083 Phase 2
0.7879 Intermediate Similarity NPD6084 Phase 2
0.7864 Intermediate Similarity NPD6008 Approved
0.78 Intermediate Similarity NPD5696 Approved
0.7717 Intermediate Similarity NPD4221 Approved
0.7717 Intermediate Similarity NPD4223 Phase 3
0.7677 Intermediate Similarity NPD5695 Phase 3
0.766 Intermediate Similarity NPD5329 Approved
0.7593 Intermediate Similarity NPD6882 Approved
0.7553 Intermediate Similarity NPD4197 Approved
0.7547 Intermediate Similarity NPD7320 Approved
0.7524 Intermediate Similarity NPD6402 Approved
0.7524 Intermediate Similarity NPD5739 Approved
0.7524 Intermediate Similarity NPD6675 Approved
0.7524 Intermediate Similarity NPD7128 Approved
0.75 Intermediate Similarity NPD5654 Approved
0.7477 Intermediate Similarity NPD6373 Approved
0.7477 Intermediate Similarity NPD6372 Approved
0.7453 Intermediate Similarity NPD6614 Approved
0.7396 Intermediate Similarity NPD4688 Approved
0.7396 Intermediate Similarity NPD4693 Phase 3
0.7396 Intermediate Similarity NPD4138 Approved
0.7396 Intermediate Similarity NPD5205 Approved
0.7396 Intermediate Similarity NPD4690 Approved
0.7396 Intermediate Similarity NPD4689 Approved
0.7383 Intermediate Similarity NPD6881 Approved
0.7383 Intermediate Similarity NPD6899 Approved
0.7353 Intermediate Similarity NPD5959 Approved
0.7347 Intermediate Similarity NPD6051 Approved
0.7347 Intermediate Similarity NPD4753 Phase 2
0.7339 Intermediate Similarity NPD6650 Approved
0.7339 Intermediate Similarity NPD6649 Approved
0.729 Intermediate Similarity NPD5697 Approved
0.729 Intermediate Similarity NPD5701 Approved
0.729 Intermediate Similarity NPD6412 Phase 2
0.7248 Intermediate Similarity NPD7102 Approved
0.7248 Intermediate Similarity NPD6883 Approved
0.7248 Intermediate Similarity NPD7290 Approved
0.7228 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD7900 Approved
0.7222 Intermediate Similarity NPD6011 Approved
0.7216 Intermediate Similarity NPD5280 Approved
0.7216 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD4694 Approved
0.7216 Intermediate Similarity NPD5690 Phase 2
0.7203 Intermediate Similarity NPD7078 Approved
0.7188 Intermediate Similarity NPD3665 Phase 1
0.7188 Intermediate Similarity NPD4786 Approved
0.7188 Intermediate Similarity NPD3133 Approved
0.7188 Intermediate Similarity NPD3666 Approved
0.7182 Intermediate Similarity NPD6847 Approved
0.7182 Intermediate Similarity NPD6869 Approved
0.7182 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD6617 Approved
0.7182 Intermediate Similarity NPD8130 Phase 1
0.7179 Intermediate Similarity NPD7492 Approved
0.7157 Intermediate Similarity NPD4629 Approved
0.7157 Intermediate Similarity NPD5210 Approved
0.7156 Intermediate Similarity NPD6012 Approved
0.7156 Intermediate Similarity NPD6013 Approved
0.7156 Intermediate Similarity NPD6014 Approved
0.7143 Intermediate Similarity NPD3573 Approved
0.713 Intermediate Similarity NPD6059 Approved
0.713 Intermediate Similarity NPD6054 Approved
0.7129 Intermediate Similarity NPD4202 Approved
0.7119 Intermediate Similarity NPD6616 Approved
0.7117 Intermediate Similarity NPD8297 Approved
0.7079 Intermediate Similarity NPD4747 Approved
0.7059 Intermediate Similarity NPD8293 Discontinued
0.7053 Intermediate Similarity NPD4692 Approved
0.7053 Intermediate Similarity NPD4139 Approved
0.703 Intermediate Similarity NPD8035 Phase 2
0.703 Intermediate Similarity NPD8034 Phase 2
0.7021 Intermediate Similarity NPD4195 Approved
0.7019 Intermediate Similarity NPD7902 Approved
0.7019 Intermediate Similarity NPD4755 Approved
0.7018 Intermediate Similarity NPD6009 Approved
0.701 Intermediate Similarity NPD3668 Phase 3
0.7009 Intermediate Similarity NPD6370 Approved
0.7 Intermediate Similarity NPD7736 Approved
0.7 Intermediate Similarity NPD4243 Approved
0.6979 Remote Similarity NPD3667 Approved
0.6966 Remote Similarity NPD4137 Phase 3
0.6923 Remote Similarity NPD6016 Approved
0.6923 Remote Similarity NPD6015 Approved
0.6923 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4788 Approved
0.6893 Remote Similarity NPD7748 Approved
0.6889 Remote Similarity NPD4691 Approved
0.6887 Remote Similarity NPD4700 Approved
0.6887 Remote Similarity NPD4696 Approved
0.6887 Remote Similarity NPD5286 Approved
0.6887 Remote Similarity NPD5285 Approved
0.6869 Remote Similarity NPD3618 Phase 1
0.6864 Remote Similarity NPD5988 Approved
0.6854 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4785 Approved
0.6848 Remote Similarity NPD5733 Approved
0.6848 Remote Similarity NPD4784 Approved
0.6832 Remote Similarity NPD5328 Approved
0.6822 Remote Similarity NPD5223 Approved
0.6813 Remote Similarity NPD5777 Approved
0.681 Remote Similarity NPD6335 Approved
0.6804 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6274 Approved
0.6765 Remote Similarity NPD4096 Approved
0.6759 Remote Similarity NPD5224 Approved
0.6759 Remote Similarity NPD5091 Approved
0.6759 Remote Similarity NPD5225 Approved
0.6759 Remote Similarity NPD5226 Approved
0.6759 Remote Similarity NPD5211 Phase 2
0.6759 Remote Similarity NPD4633 Approved
0.6754 Remote Similarity NPD4632 Approved
0.6752 Remote Similarity NPD7100 Approved
0.6752 Remote Similarity NPD7101 Approved
0.6737 Remote Similarity NPD3617 Approved
0.6731 Remote Similarity NPD5707 Approved
0.6724 Remote Similarity NPD6317 Approved
0.6721 Remote Similarity NPD6033 Approved
0.6699 Remote Similarity NPD7515 Phase 2
0.6699 Remote Similarity NPD6079 Approved
0.6697 Remote Similarity NPD4754 Approved
0.6697 Remote Similarity NPD5175 Approved
0.6697 Remote Similarity NPD5174 Approved
0.6694 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6067 Discontinued
0.6667 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD4687 Approved
0.6667 Remote Similarity NPD6313 Approved
0.6667 Remote Similarity NPD4058 Approved
0.6639 Remote Similarity NPD6909 Approved
0.6639 Remote Similarity NPD6908 Approved
0.6636 Remote Similarity NPD5141 Approved
0.6636 Remote Similarity NPD7638 Approved
0.6635 Remote Similarity NPD5133 Approved
0.663 Remote Similarity NPD5276 Approved
0.6604 Remote Similarity NPD4697 Phase 3
0.66 Remote Similarity NPD1694 Approved
0.66 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4695 Discontinued
0.6596 Remote Similarity NPD4190 Phase 3
0.6596 Remote Similarity NPD3702 Approved
0.6596 Remote Similarity NPD5275 Approved
0.6581 Remote Similarity NPD7115 Discovery
0.6577 Remote Similarity NPD4767 Approved
0.6577 Remote Similarity NPD4768 Approved
0.6574 Remote Similarity NPD7639 Approved
0.6574 Remote Similarity NPD7640 Approved
0.6569 Remote Similarity NPD4518 Approved
0.6555 Remote Similarity NPD6319 Approved
0.6535 Remote Similarity NPD4519 Discontinued
0.6535 Remote Similarity NPD4623 Approved
0.6535 Remote Similarity NPD5279 Phase 3
0.6532 Remote Similarity NPD7319 Approved
0.6531 Remote Similarity NPD5369 Approved
0.6529 Remote Similarity NPD7604 Phase 2
0.6522 Remote Similarity NPD6053 Discontinued
0.65 Remote Similarity NPD5983 Phase 2
0.648 Remote Similarity NPD5956 Approved
0.6466 Remote Similarity NPD7094 Approved
0.6466 Remote Similarity NPD6858 Approved
0.6465 Remote Similarity NPD6435 Approved
0.646 Remote Similarity NPD4730 Approved
0.646 Remote Similarity NPD6686 Approved
0.646 Remote Similarity NPD5128 Approved
0.646 Remote Similarity NPD4729 Approved
0.6452 Remote Similarity NPD6081 Approved
0.6449 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7732 Phase 3
0.6449 Remote Similarity NPD5221 Approved
0.6449 Remote Similarity NPD5222 Approved
0.6429 Remote Similarity NPD7525 Registered
0.6423 Remote Similarity NPD6336 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3353332
ZINC  

Physicochemical Properties

Molecular Weight:  468.32
ALogP:  2.7023
MLogP:  4.32
XLogP:  6.115
# Rotatable Bonds:  7
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  34

Download Data

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