Natural Product: NPC472225

Natural Product ID:  NPC472225
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H42O5
Standard InCHIKey:  CSSUMQOYGVWJIF-XPNPTXLSSA-N
Standard InCHI:  InChI=1S/C30H42O5/c1-17-14-29(34-24(17)33)15-18(2)30(35-29)13-12-27(6)19-8-9-21-25(3,4)22(32)10-11-26(21,5)23(19)20(31)16-28(27,30)7/h17-18,21H,8-16H2,1-7H3/t17-,18-,21+,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(=O)C1=C2CC[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 = 26800 nM 24491635
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 50000 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 > 50000 nM 25310730
NPT65 Cell Line HepG2 Homo sapiens IC50 = 31200 nM 14584959

  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 NPC472225 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 NPC472226
0.9222 High Similarity NPC472224
0.9222 High Similarity NPC472223
0.8587 High Similarity NPC150383
0.8571 High Similarity NPC473039
0.8295 Intermediate Similarity NPC472229
0.8295 Intermediate Similarity NPC472230
0.82 Intermediate Similarity NPC472227
0.82 Intermediate Similarity NPC472228
0.8172 Intermediate Similarity NPC305039
0.8111 Intermediate Similarity NPC271784
0.8111 Intermediate Similarity NPC469561
0.8065 Intermediate Similarity NPC28227
0.802 Intermediate Similarity NPC119493
0.8 Intermediate Similarity NPC321289
0.8 Intermediate Similarity NPC327969
0.7959 Intermediate Similarity NPC187159
0.7935 Intermediate Similarity NPC470223
0.7857 Intermediate Similarity NPC322063
0.7849 Intermediate Similarity NPC195640
0.7843 Intermediate Similarity NPC164835
0.7843 Intermediate Similarity NPC228669
0.7826 Intermediate Similarity NPC209882
0.7826 Intermediate Similarity NPC320801
0.7826 Intermediate Similarity NPC100391
0.7789 Intermediate Similarity NPC54689
0.7767 Intermediate Similarity NPC127790
0.7742 Intermediate Similarity NPC473038
0.7742 Intermediate Similarity NPC323765
0.7732 Intermediate Similarity NPC25750
0.7732 Intermediate Similarity NPC243866
0.7717 Intermediate Similarity NPC168188
0.7717 Intermediate Similarity NPC470015
0.7677 Intermediate Similarity NPC125622
0.7667 Intermediate Similarity NPC118987
0.7653 Intermediate Similarity NPC294266
0.7653 Intermediate Similarity NPC56525
0.7647 Intermediate Similarity NPC56498
0.7634 Intermediate Similarity NPC109512
0.7629 Intermediate Similarity NPC154101
0.7624 Intermediate Similarity NPC205899
0.7609 Intermediate Similarity NPC100297
0.7609 Intermediate Similarity NPC240302
0.76 Intermediate Similarity NPC18319
0.76 Intermediate Similarity NPC475894
0.76 Intermediate Similarity NPC476253
0.7582 Intermediate Similarity NPC474956
0.7582 Intermediate Similarity NPC170038
0.7579 Intermediate Similarity NPC167877
0.7579 Intermediate Similarity NPC136948
0.7576 Intermediate Similarity NPC184848
0.7576 Intermediate Similarity NPC241156
0.7576 Intermediate Similarity NPC69548
0.7576 Intermediate Similarity NPC171395
0.7573 Intermediate Similarity NPC36321
0.7556 Intermediate Similarity NPC469996
0.7553 Intermediate Similarity NPC94531
0.7553 Intermediate Similarity NPC123319
0.7553 Intermediate Similarity NPC311702
0.7551 Intermediate Similarity NPC66429
0.7551 Intermediate Similarity NPC152897
0.7525 Intermediate Similarity NPC10364
0.7525 Intermediate Similarity NPC153792
0.7525 Intermediate Similarity NPC176845
0.7525 Intermediate Similarity NPC271387
0.7523 Intermediate Similarity NPC471398
0.75 Intermediate Similarity NPC38350
0.75 Intermediate Similarity NPC183546
0.75 Intermediate Similarity NPC155676
0.75 Intermediate Similarity NPC201912
0.75 Intermediate Similarity NPC294480
0.75 Intermediate Similarity NPC477372
0.75 Intermediate Similarity NPC95565
0.75 Intermediate Similarity NPC232625
0.7477 Intermediate Similarity NPC163314
0.7476 Intermediate Similarity NPC22388
0.7475 Intermediate Similarity NPC184870
0.7474 Intermediate Similarity NPC212843
0.7474 Intermediate Similarity NPC244174
0.7449 Intermediate Similarity NPC204341
0.7449 Intermediate Similarity NPC23434
0.7447 Intermediate Similarity NPC120158
0.7447 Intermediate Similarity NPC475193
0.7447 Intermediate Similarity NPC469407
0.7429 Intermediate Similarity NPC470309
0.7426 Intermediate Similarity NPC107243
0.7426 Intermediate Similarity NPC23680
0.7426 Intermediate Similarity NPC216904
0.7426 Intermediate Similarity NPC121339
0.7426 Intermediate Similarity NPC57416
0.7426 Intermediate Similarity NPC292133
0.7423 Intermediate Similarity NPC215029
0.7423 Intermediate Similarity NPC155479
0.7423 Intermediate Similarity NPC472234
0.7423 Intermediate Similarity NPC476733
0.7423 Intermediate Similarity NPC262043
0.7423 Intermediate Similarity NPC173042
0.7423 Intermediate Similarity NPC285982
0.7423 Intermediate Similarity NPC472233
0.7419 Intermediate Similarity NPC258153
0.7419 Intermediate Similarity NPC320514
0.7419 Intermediate Similarity NPC260956
0.7419 Intermediate Similarity NPC193347
0.7419 Intermediate Similarity NPC133391
0.7419 Intermediate Similarity NPC476458
0.7404 Intermediate Similarity NPC236390
0.7404 Intermediate Similarity NPC140723
0.74 Intermediate Similarity NPC469599
0.74 Intermediate Similarity NPC263347
0.7396 Intermediate Similarity NPC265580
0.7396 Intermediate Similarity NPC312215
0.7379 Intermediate Similarity NPC99411
0.7374 Intermediate Similarity NPC470576
0.7368 Intermediate Similarity NPC29447
0.7368 Intermediate Similarity NPC11711
0.7358 Intermediate Similarity NPC473037
0.7358 Intermediate Similarity NPC220974
0.7353 Intermediate Similarity NPC275439
0.7353 Intermediate Similarity NPC477813
0.7353 Intermediate Similarity NPC112753
0.7347 Intermediate Similarity NPC478257
0.7347 Intermediate Similarity NPC478258
0.734 Intermediate Similarity NPC477373
0.734 Intermediate Similarity NPC83569
0.734 Intermediate Similarity NPC472492
0.734 Intermediate Similarity NPC69279
0.7333 Intermediate Similarity NPC28656
0.7327 Intermediate Similarity NPC42042
0.7327 Intermediate Similarity NPC7124
0.7327 Intermediate Similarity NPC3772
0.7315 Intermediate Similarity NPC473036
0.7315 Intermediate Similarity NPC272898
0.7315 Intermediate Similarity NPC27551
0.7315 Intermediate Similarity NPC114961
0.7312 Intermediate Similarity NPC150506
0.7312 Intermediate Similarity NPC147066
0.7308 Intermediate Similarity NPC308351
0.7308 Intermediate Similarity NPC271266
0.7308 Intermediate Similarity NPC204450
0.7308 Intermediate Similarity NPC195290
0.73 Intermediate Similarity NPC471720
0.729 Intermediate Similarity NPC61411
0.729 Intermediate Similarity NPC469844
0.7283 Intermediate Similarity NPC477371
0.7282 Intermediate Similarity NPC307954
0.7273 Intermediate Similarity NPC179517
0.7273 Intermediate Similarity NPC474631
0.7273 Intermediate Similarity NPC197701
0.7273 Intermediate Similarity NPC190442
0.7273 Intermediate Similarity NPC65513
0.7273 Intermediate Similarity NPC165904
0.7273 Intermediate Similarity NPC223187
0.7273 Intermediate Similarity NPC218301
0.7273 Intermediate Similarity NPC178981
0.7263 Intermediate Similarity NPC71626
0.7263 Intermediate Similarity NPC144258
0.7257 Intermediate Similarity NPC474179
0.7257 Intermediate Similarity NPC475834
0.7255 Intermediate Similarity NPC204054
0.7255 Intermediate Similarity NPC257726
0.7255 Intermediate Similarity NPC106557
0.7253 Intermediate Similarity NPC472300
0.7248 Intermediate Similarity NPC470577
0.7245 Intermediate Similarity NPC474570
0.7245 Intermediate Similarity NPC474679
0.7245 Intermediate Similarity NPC477943
0.7245 Intermediate Similarity NPC474889
0.7238 Intermediate Similarity NPC55872
0.7228 Intermediate Similarity NPC470016
0.7228 Intermediate Similarity NPC45324
0.7228 Intermediate Similarity NPC473648
0.7228 Intermediate Similarity NPC162001
0.7228 Intermediate Similarity NPC317586
0.7228 Intermediate Similarity NPC255809
0.7228 Intermediate Similarity NPC37646
0.7228 Intermediate Similarity NPC222845
0.7228 Intermediate Similarity NPC280877
0.7222 Intermediate Similarity NPC304495
0.7216 Intermediate Similarity NPC99909
0.7212 Intermediate Similarity NPC124211
0.7212 Intermediate Similarity NPC474327
0.7203 Intermediate Similarity NPC473888
0.72 Intermediate Similarity NPC470375
0.72 Intermediate Similarity NPC472232
0.72 Intermediate Similarity NPC229976
0.72 Intermediate Similarity NPC475700
0.72 Intermediate Similarity NPC472237
0.72 Intermediate Similarity NPC267266
0.72 Intermediate Similarity NPC206810
0.72 Intermediate Similarity NPC277721
0.72 Intermediate Similarity NPC472231
0.72 Intermediate Similarity NPC470224
0.72 Intermediate Similarity NPC472238
0.72 Intermediate Similarity NPC470376
0.72 Intermediate Similarity NPC470254
0.7188 Intermediate Similarity NPC300985
0.7184 Intermediate Similarity NPC186810
0.7184 Intermediate Similarity NPC166745
0.7184 Intermediate Similarity NPC197386
0.7184 Intermediate Similarity NPC235464

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472225 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
0.8478 Intermediate Similarity NPD5207 Approved
0.8316 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.8191 Intermediate Similarity NPD6050 Approved
0.8172 Intermediate Similarity NPD6080 Approved
0.8172 Intermediate Similarity NPD6673 Approved
0.8172 Intermediate Similarity NPD6904 Approved
0.8085 Intermediate Similarity NPD5692 Phase 3
0.8021 Intermediate Similarity NPD6001 Approved
0.8 Intermediate Similarity NPD5694 Approved
0.8 Intermediate Similarity NPD5284 Approved
0.8 Intermediate Similarity NPD5281 Approved
0.7872 Intermediate Similarity NPD5208 Approved
0.7872 Intermediate Similarity NPD6903 Approved
0.7849 Intermediate Similarity NPD7521 Approved
0.7849 Intermediate Similarity NPD7334 Approved
0.7849 Intermediate Similarity NPD6684 Approved
0.7849 Intermediate Similarity NPD7146 Approved
0.7849 Intermediate Similarity NPD6409 Approved
0.7849 Intermediate Similarity NPD5330 Approved
0.7849 Intermediate Similarity NPD6098 Approved
0.7812 Intermediate Similarity NPD5693 Phase 1
0.7755 Intermediate Similarity NPD5654 Approved
0.7755 Intermediate Similarity NPD5695 Phase 3
0.7745 Intermediate Similarity NPD6052 Approved
0.7684 Intermediate Similarity NPD6672 Approved
0.7684 Intermediate Similarity NPD5737 Approved
0.7684 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD6083 Phase 2
0.76 Intermediate Similarity NPD6084 Phase 2
0.76 Intermediate Similarity NPD5959 Approved
0.7596 Intermediate Similarity NPD6008 Approved
0.7525 Intermediate Similarity NPD5696 Approved
0.7419 Intermediate Similarity NPD4223 Phase 3
0.7419 Intermediate Similarity NPD4221 Approved
0.7374 Intermediate Similarity NPD6399 Phase 3
0.7368 Intermediate Similarity NPD5329 Approved
0.7339 Intermediate Similarity NPD6882 Approved
0.7312 Intermediate Similarity NPD4692 Approved
0.7312 Intermediate Similarity NPD4139 Approved
0.7292 Intermediate Similarity NPD5690 Phase 2
0.7292 Intermediate Similarity NPD4694 Approved
0.7292 Intermediate Similarity NPD5280 Approved
0.729 Intermediate Similarity NPD7320 Approved
0.7264 Intermediate Similarity NPD6675 Approved
0.7264 Intermediate Similarity NPD7128 Approved
0.7264 Intermediate Similarity NPD6402 Approved
0.7264 Intermediate Similarity NPD5739 Approved
0.7263 Intermediate Similarity NPD4197 Approved
0.7222 Intermediate Similarity NPD6372 Approved
0.7222 Intermediate Similarity NPD6373 Approved
0.7196 Intermediate Similarity NPD6614 Approved
0.713 Intermediate Similarity NPD6899 Approved
0.713 Intermediate Similarity NPD6881 Approved
0.7113 Intermediate Similarity NPD4688 Approved
0.7113 Intermediate Similarity NPD4690 Approved
0.7113 Intermediate Similarity NPD5205 Approved
0.7113 Intermediate Similarity NPD4689 Approved
0.7113 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD4138 Approved
0.7113 Intermediate Similarity NPD4693 Phase 3
0.7091 Intermediate Similarity NPD6650 Approved
0.7091 Intermediate Similarity NPD6649 Approved
0.7071 Intermediate Similarity NPD4753 Phase 2
0.7037 Intermediate Similarity NPD5697 Approved
0.7037 Intermediate Similarity NPD5701 Approved
0.7037 Intermediate Similarity NPD6412 Phase 2
0.7 Intermediate Similarity NPD7102 Approved
0.7 Intermediate Similarity NPD7290 Approved
0.7 Intermediate Similarity NPD6883 Approved
0.6989 Remote Similarity NPD3617 Approved
0.6975 Remote Similarity NPD7078 Approved
0.6972 Remote Similarity NPD6011 Approved
0.6961 Remote Similarity NPD7900 Approved
0.6961 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7492 Approved
0.6937 Remote Similarity NPD6847 Approved
0.6937 Remote Similarity NPD6617 Approved
0.6937 Remote Similarity NPD6869 Approved
0.6937 Remote Similarity NPD8130 Phase 1
0.6937 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5733 Approved
0.6909 Remote Similarity NPD6012 Approved
0.6909 Remote Similarity NPD6014 Approved
0.6909 Remote Similarity NPD6013 Approved
0.6907 Remote Similarity NPD3666 Approved
0.6907 Remote Similarity NPD3133 Approved
0.6907 Remote Similarity NPD3665 Phase 1
0.6897 Remote Similarity NPD6054 Approved
0.6897 Remote Similarity NPD6059 Approved
0.6893 Remote Similarity NPD5210 Approved
0.6893 Remote Similarity NPD4629 Approved
0.6891 Remote Similarity NPD6616 Approved
0.6875 Remote Similarity NPD8297 Approved
0.6869 Remote Similarity NPD3573 Approved
0.6863 Remote Similarity NPD4202 Approved
0.6863 Remote Similarity NPD5133 Approved
0.6833 Remote Similarity NPD8293 Discontinued
0.6832 Remote Similarity NPD4096 Approved
0.6783 Remote Similarity NPD6009 Approved
0.678 Remote Similarity NPD6370 Approved
0.6778 Remote Similarity NPD4747 Approved
0.6777 Remote Similarity NPD7736 Approved
0.6762 Remote Similarity NPD4755 Approved
0.6762 Remote Similarity NPD7902 Approved
0.6739 Remote Similarity NPD4687 Approved
0.6737 Remote Similarity NPD4195 Approved
0.6733 Remote Similarity NPD6051 Approved
0.6733 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6703 Remote Similarity NPD5777 Approved
0.6703 Remote Similarity NPD5276 Approved
0.6695 Remote Similarity NPD6016 Approved
0.6695 Remote Similarity NPD6015 Approved
0.6695 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD4137 Phase 3
0.6639 Remote Similarity NPD5988 Approved
0.6636 Remote Similarity NPD4696 Approved
0.6636 Remote Similarity NPD5286 Approved
0.6636 Remote Similarity NPD4700 Approved
0.6636 Remote Similarity NPD5285 Approved
0.6635 Remote Similarity NPD7748 Approved
0.6634 Remote Similarity NPD4518 Approved
0.6633 Remote Similarity NPD4788 Approved
0.6602 Remote Similarity NPD8035 Phase 2
0.6602 Remote Similarity NPD8034 Phase 2
0.66 Remote Similarity NPD3618 Phase 1
0.66 Remote Similarity NPD5279 Phase 3
0.6593 Remote Similarity NPD4691 Approved
0.6581 Remote Similarity NPD6335 Approved
0.6574 Remote Similarity NPD5223 Approved
0.6569 Remote Similarity NPD5328 Approved
0.6566 Remote Similarity NPD4786 Approved
0.6552 Remote Similarity NPD6274 Approved
0.6531 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6525 Remote Similarity NPD7100 Approved
0.6525 Remote Similarity NPD7101 Approved
0.6522 Remote Similarity NPD4632 Approved
0.6514 Remote Similarity NPD5091 Approved
0.6514 Remote Similarity NPD5225 Approved
0.6514 Remote Similarity NPD5211 Phase 2
0.6514 Remote Similarity NPD5226 Approved
0.6514 Remote Similarity NPD4633 Approved
0.6514 Remote Similarity NPD5224 Approved
0.6509 Remote Similarity NPD7732 Phase 3
0.6504 Remote Similarity NPD6033 Approved
0.6496 Remote Similarity NPD6317 Approved
0.6489 Remote Similarity NPD3702 Approved
0.6475 Remote Similarity NPD7507 Approved
0.646 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4754 Approved
0.6455 Remote Similarity NPD5174 Approved
0.6455 Remote Similarity NPD5175 Approved
0.6446 Remote Similarity NPD6067 Discontinued
0.6442 Remote Similarity NPD6079 Approved
0.6442 Remote Similarity NPD7515 Phase 2
0.6441 Remote Similarity NPD6314 Approved
0.6441 Remote Similarity NPD6313 Approved
0.6435 Remote Similarity NPD6053 Discontinued
0.6417 Remote Similarity NPD6909 Approved
0.6417 Remote Similarity NPD6908 Approved
0.64 Remote Similarity NPD3668 Phase 3
0.6396 Remote Similarity NPD5141 Approved
0.6389 Remote Similarity NPD7638 Approved
0.6383 Remote Similarity NPD4058 Approved
0.6364 Remote Similarity NPD3667 Approved
0.6356 Remote Similarity NPD7115 Discovery
0.6355 Remote Similarity NPD4697 Phase 3
0.6355 Remote Similarity NPD7614 Phase 1
0.6344 Remote Similarity NPD4243 Approved
0.6344 Remote Similarity NPD6081 Approved
0.6339 Remote Similarity NPD4768 Approved
0.6339 Remote Similarity NPD4767 Approved
0.6333 Remote Similarity NPD6319 Approved
0.633 Remote Similarity NPD7639 Approved
0.633 Remote Similarity NPD7640 Approved
0.633 Remote Similarity NPD6404 Discontinued
0.6327 Remote Similarity NPD4695 Discontinued
0.632 Remote Similarity NPD7319 Approved
0.6311 Remote Similarity NPD7604 Phase 2
0.6283 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5983 Phase 2
0.6275 Remote Similarity NPD4519 Discontinued
0.6275 Remote Similarity NPD4623 Approved
0.627 Remote Similarity NPD5956 Approved
0.6239 Remote Similarity NPD6858 Approved
0.6239 Remote Similarity NPD7094 Approved
0.6228 Remote Similarity NPD4729 Approved
0.6228 Remote Similarity NPD4730 Approved
0.6228 Remote Similarity NPD5128 Approved
0.6228 Remote Similarity NPD6686 Approved
0.6216 Remote Similarity NPD7632 Discontinued
0.6211 Remote Similarity NPD4785 Approved
0.6211 Remote Similarity NPD4784 Approved
0.621 Remote Similarity NPD6336 Discontinued
0.6204 Remote Similarity NPD5221 Approved
0.6204 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5222 Approved
0.6196 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5707 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3353333
ZINC  

Physicochemical Properties

Molecular Weight:  482.30
ALogP:  2.3462
MLogP:  4.21
XLogP:  3.819
# Rotatable Bonds:  7
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  35

Download Data

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