Natural Product: NPC471724

Natural Product ID:  NPC471724
Common Name:   3Beta,22-Dihydroxy-5Alpha-Lanosta-8,25-Dien-24-One
IUPAC Name:   (6S)-5-hydroxy-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
Synonyms:  
Molecular Formula:   C30H48O3
Standard InCHIKey:  NRZPHWXZFDFOQN-GJLUZCMASA-N
Standard InCHI:  InChI=1S/C30H48O3/c1-18(2)23(31)17-24(32)19(3)20-11-15-30(8)22-9-10-25-27(4,5)26(33)13-14-28(25,6)21(22)12-16-29(20,30)7/h19-20,24-26,32-33H,1,9-17H2,2-8H3/t19-,20+,24?,25-,26-,28+,29+,30-/m0/s1
Canonical SMILES:  OC([C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)CC(=O)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
NPO18766 Inonotus obliquus Species Hymenochaetaceae Eukaryota PMID[24359303]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10000 nM 20876376
NPT91 Cell Line KB Homo sapiens IC50 = 9900 nM 18070971
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 11277769

  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 NPC471724 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
0.9518 High Similarity NPC72133
0.9302 High Similarity NPC191684
0.9294 High Similarity NPC471722
0.9294 High Similarity NPC131470
0.9294 High Similarity NPC143767
0.9186 High Similarity NPC275740
0.9186 High Similarity NPC86319
0.908 High Similarity NPC183283
0.9059 High Similarity NPC28252
0.9059 High Similarity NPC94755
0.9059 High Similarity NPC55309
0.9048 High Similarity NPC473246
0.8977 High Similarity NPC63748
0.8977 High Similarity NPC233116
0.8977 High Similarity NPC272746
0.8953 High Similarity NPC159046
0.8953 High Similarity NPC233836
0.8953 High Similarity NPC187376
0.8953 High Similarity NPC475740
0.8941 High Similarity NPC470574
0.8929 High Similarity NPC471036
0.8929 High Similarity NPC291320
0.8902 High Similarity NPC472490
0.8876 High Similarity NPC69454
0.8864 High Similarity NPC85173
0.8864 High Similarity NPC126993
0.8851 High Similarity NPC242864
0.8851 High Similarity NPC53911
0.8851 High Similarity NPC328313
0.8851 High Similarity NPC328539
0.8837 High Similarity NPC474733
0.8837 High Similarity NPC474778
0.8837 High Similarity NPC145879
0.8837 High Similarity NPC222613
0.8837 High Similarity NPC475022
0.8837 High Similarity NPC474732
0.8837 High Similarity NPC118648
0.8837 High Similarity NPC31564
0.8824 High Similarity NPC221758
0.8824 High Similarity NPC85774
0.8824 High Similarity NPC214043
0.8824 High Similarity NPC59453
0.8778 High Similarity NPC166906
0.875 High Similarity NPC84271
0.875 High Similarity NPC473999
0.875 High Similarity NPC102414
0.875 High Similarity NPC119416
0.875 High Similarity NPC472970
0.875 High Similarity NPC309603
0.875 High Similarity NPC1015
0.875 High Similarity NPC472971
0.875 High Similarity NPC472489
0.875 High Similarity NPC77168
0.875 High Similarity NPC31985
0.8736 High Similarity NPC58063
0.8736 High Similarity NPC474684
0.8736 High Similarity NPC138756
0.8736 High Similarity NPC142361
0.8721 High Similarity NPC190704
0.8721 High Similarity NPC474083
0.8721 High Similarity NPC471034
0.8721 High Similarity NPC76518
0.8681 High Similarity NPC470016
0.8681 High Similarity NPC317586
0.8681 High Similarity NPC259286
0.8667 High Similarity NPC475255
0.8667 High Similarity NPC134826
0.8652 High Similarity NPC48010
0.8652 High Similarity NPC469400
0.8636 High Similarity NPC193360
0.8621 High Similarity NPC472491
0.8621 High Similarity NPC51014
0.8621 High Similarity NPC472494
0.8617 High Similarity NPC473514
0.8605 High Similarity NPC472265
0.8605 High Similarity NPC82902
0.8588 High Similarity NPC151519
0.8587 High Similarity NPC120708
0.8587 High Similarity NPC305483
0.8587 High Similarity NPC328162
0.8587 High Similarity NPC249954
0.8587 High Similarity NPC96859
0.8571 High Similarity NPC472478
0.8571 High Similarity NPC245972
0.8571 High Similarity NPC111015
0.8571 High Similarity NPC196485
0.8556 High Similarity NPC185936
0.8556 High Similarity NPC473998
0.8556 High Similarity NPC168027
0.8556 High Similarity NPC297265
0.8556 High Similarity NPC23434
0.8556 High Similarity NPC475806
0.8539 High Similarity NPC32830
0.8539 High Similarity NPC474245
0.8539 High Similarity NPC26959
0.8539 High Similarity NPC474704
0.8539 High Similarity NPC268406
0.8539 High Similarity NPC186688
0.8539 High Similarity NPC474889
0.8539 High Similarity NPC475921
0.8537 High Similarity NPC73875
0.8523 High Similarity NPC475772
0.8523 High Similarity NPC57469
0.8523 High Similarity NPC93778
0.8523 High Similarity NPC165895
0.8523 High Similarity NPC141292
0.8523 High Similarity NPC136548
0.8523 High Similarity NPC259009
0.8523 High Similarity NPC96496
0.8506 High Similarity NPC474218
0.8506 High Similarity NPC471224
0.8506 High Similarity NPC197823
0.8506 High Similarity NPC102292
0.8506 High Similarity NPC469948
0.8495 Intermediate Similarity NPC320306
0.8495 Intermediate Similarity NPC108078
0.8488 Intermediate Similarity NPC278648
0.8488 Intermediate Similarity NPC472743
0.8488 Intermediate Similarity NPC475726
0.8488 Intermediate Similarity NPC476082
0.8478 Intermediate Similarity NPC271195
0.8471 Intermediate Similarity NPC116797
0.8462 Intermediate Similarity NPC472930
0.8462 Intermediate Similarity NPC12722
0.8462 Intermediate Similarity NPC474807
0.8462 Intermediate Similarity NPC250575
0.8444 Intermediate Similarity NPC111585
0.8444 Intermediate Similarity NPC175628
0.8444 Intermediate Similarity NPC148414
0.8444 Intermediate Similarity NPC136801
0.8434 Intermediate Similarity NPC214570
0.8427 Intermediate Similarity NPC472739
0.8427 Intermediate Similarity NPC292491
0.8427 Intermediate Similarity NPC310752
0.8427 Intermediate Similarity NPC474677
0.8421 Intermediate Similarity NPC472924
0.8415 Intermediate Similarity NPC121744
0.8415 Intermediate Similarity NPC322353
0.8415 Intermediate Similarity NPC118508
0.8409 Intermediate Similarity NPC158393
0.8409 Intermediate Similarity NPC155011
0.8409 Intermediate Similarity NPC98236
0.8409 Intermediate Similarity NPC472488
0.8409 Intermediate Similarity NPC89077
0.8409 Intermediate Similarity NPC269396
0.8409 Intermediate Similarity NPC469994
0.8404 Intermediate Similarity NPC147954
0.8404 Intermediate Similarity NPC103051
0.8391 Intermediate Similarity NPC329043
0.8391 Intermediate Similarity NPC474482
0.8391 Intermediate Similarity NPC237712
0.8391 Intermediate Similarity NPC33913
0.8391 Intermediate Similarity NPC321187
0.8391 Intermediate Similarity NPC161423
0.8391 Intermediate Similarity NPC58841
0.8391 Intermediate Similarity NPC227064
0.8391 Intermediate Similarity NPC146683
0.8391 Intermediate Similarity NPC475745
0.8387 Intermediate Similarity NPC472941
0.8387 Intermediate Similarity NPC456
0.8387 Intermediate Similarity NPC117133
0.8372 Intermediate Similarity NPC110780
0.8372 Intermediate Similarity NPC48362
0.837 Intermediate Similarity NPC469406
0.837 Intermediate Similarity NPC8993
0.8367 Intermediate Similarity NPC472925
0.8353 Intermediate Similarity NPC164999
0.8352 Intermediate Similarity NPC131872
0.8352 Intermediate Similarity NPC189520
0.8352 Intermediate Similarity NPC212301
0.8352 Intermediate Similarity NPC86266
0.8352 Intermediate Similarity NPC110657
0.8352 Intermediate Similarity NPC26888
0.8352 Intermediate Similarity NPC155304
0.8351 Intermediate Similarity NPC96268
0.8333 Intermediate Similarity NPC54689
0.8333 Intermediate Similarity NPC477943
0.8333 Intermediate Similarity NPC293753
0.8333 Intermediate Similarity NPC472475
0.8333 Intermediate Similarity NPC472477
0.8333 Intermediate Similarity NPC76879
0.8333 Intermediate Similarity NPC275910
0.8333 Intermediate Similarity NPC473424
0.8333 Intermediate Similarity NPC214387
0.8333 Intermediate Similarity NPC69627
0.8333 Intermediate Similarity NPC178852
0.8316 Intermediate Similarity NPC316964
0.8316 Intermediate Similarity NPC110149
0.8316 Intermediate Similarity NPC327431
0.8315 Intermediate Similarity NPC317590
0.8315 Intermediate Similarity NPC472481
0.8315 Intermediate Similarity NPC472493
0.8315 Intermediate Similarity NPC99909
0.8315 Intermediate Similarity NPC472482
0.8315 Intermediate Similarity NPC90652
0.8315 Intermediate Similarity NPC472484
0.8313 Intermediate Similarity NPC202642
0.8313 Intermediate Similarity NPC46160
0.8298 Intermediate Similarity NPC43747
0.8295 Intermediate Similarity NPC292553

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471724 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
0.8977 High Similarity NPD6079 Approved
0.8966 High Similarity NPD5328 Approved
0.8837 High Similarity NPD3618 Phase 1
0.8824 High Similarity NPD4786 Approved
0.8588 High Similarity NPD3667 Approved
0.8462 Intermediate Similarity NPD4202 Approved
0.8409 Intermediate Similarity NPD5279 Phase 3
0.8391 Intermediate Similarity NPD3133 Approved
0.8391 Intermediate Similarity NPD3665 Phase 1
0.8391 Intermediate Similarity NPD3666 Approved
0.8387 Intermediate Similarity NPD5222 Approved
0.8387 Intermediate Similarity NPD5221 Approved
0.8387 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8298 Intermediate Similarity NPD5173 Approved
0.8202 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8191 Intermediate Similarity NPD4697 Phase 3
0.8125 Intermediate Similarity NPD5285 Approved
0.8125 Intermediate Similarity NPD4696 Approved
0.8125 Intermediate Similarity NPD5286 Approved
0.8105 Intermediate Similarity NPD4755 Approved
0.809 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8068 Intermediate Similarity NPD4788 Approved
0.8041 Intermediate Similarity NPD5223 Approved
0.8 Intermediate Similarity NPD5690 Phase 2
0.7959 Intermediate Similarity NPD5224 Approved
0.7959 Intermediate Similarity NPD4633 Approved
0.7959 Intermediate Similarity NPD5225 Approved
0.7959 Intermediate Similarity NPD5226 Approved
0.7959 Intermediate Similarity NPD5211 Phase 2
0.7957 Intermediate Similarity NPD7515 Phase 2
0.7955 Intermediate Similarity NPD4223 Phase 3
0.7955 Intermediate Similarity NPD4221 Approved
0.7938 Intermediate Similarity NPD4700 Approved
0.7935 Intermediate Similarity NPD4753 Phase 2
0.7889 Intermediate Similarity NPD5329 Approved
0.7879 Intermediate Similarity NPD5174 Approved
0.7879 Intermediate Similarity NPD5175 Approved
0.7872 Intermediate Similarity NPD6399 Phase 3
0.7802 Intermediate Similarity NPD5280 Approved
0.7802 Intermediate Similarity NPD4694 Approved
0.78 Intermediate Similarity NPD5141 Approved
0.7778 Intermediate Similarity NPD4197 Approved
0.7778 Intermediate Similarity NPD3668 Phase 3
0.7767 Intermediate Similarity NPD4634 Approved
0.7765 Intermediate Similarity NPD7339 Approved
0.7765 Intermediate Similarity NPD6942 Approved
0.7745 Intermediate Similarity NPD6881 Approved
0.7745 Intermediate Similarity NPD6899 Approved
0.7727 Intermediate Similarity NPD7525 Registered
0.7723 Intermediate Similarity NPD6675 Approved
0.7723 Intermediate Similarity NPD7128 Approved
0.7723 Intermediate Similarity NPD6402 Approved
0.7723 Intermediate Similarity NPD5739 Approved
0.7708 Intermediate Similarity NPD5210 Approved
0.7708 Intermediate Similarity NPD4629 Approved
0.7701 Intermediate Similarity NPD3617 Approved
0.77 Intermediate Similarity NPD4754 Approved
0.7647 Intermediate Similarity NPD5697 Approved
0.764 Intermediate Similarity NPD4139 Approved
0.764 Intermediate Similarity NPD4692 Approved
0.7619 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD6409 Approved
0.7609 Intermediate Similarity NPD4689 Approved
0.7609 Intermediate Similarity NPD4688 Approved
0.7609 Intermediate Similarity NPD5330 Approved
0.7609 Intermediate Similarity NPD4693 Phase 3
0.7609 Intermediate Similarity NPD6684 Approved
0.7609 Intermediate Similarity NPD4690 Approved
0.7609 Intermediate Similarity NPD7521 Approved
0.7609 Intermediate Similarity NPD7334 Approved
0.7609 Intermediate Similarity NPD5205 Approved
0.7609 Intermediate Similarity NPD4138 Approved
0.7609 Intermediate Similarity NPD7146 Approved
0.7604 Intermediate Similarity NPD7748 Approved
0.7596 Intermediate Similarity NPD7290 Approved
0.7596 Intermediate Similarity NPD7102 Approved
0.7596 Intermediate Similarity NPD6883 Approved
0.7573 Intermediate Similarity NPD6011 Approved
0.7573 Intermediate Similarity NPD5168 Approved
0.7573 Intermediate Similarity NPD4729 Approved
0.7573 Intermediate Similarity NPD5128 Approved
0.7573 Intermediate Similarity NPD7320 Approved
0.7573 Intermediate Similarity NPD4730 Approved
0.7551 Intermediate Similarity NPD6083 Phase 2
0.7551 Intermediate Similarity NPD6084 Phase 2
0.7549 Intermediate Similarity NPD4768 Approved
0.7549 Intermediate Similarity NPD4767 Approved
0.7526 Intermediate Similarity NPD5695 Phase 3
0.7524 Intermediate Similarity NPD8130 Phase 1
0.7524 Intermediate Similarity NPD6617 Approved
0.7524 Intermediate Similarity NPD6650 Approved
0.7524 Intermediate Similarity NPD6869 Approved
0.7524 Intermediate Similarity NPD6649 Approved
0.7524 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6013 Approved
0.75 Intermediate Similarity NPD6373 Approved
0.75 Intermediate Similarity NPD7115 Discovery
0.75 Intermediate Similarity NPD6372 Approved
0.75 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD6014 Approved
0.7476 Intermediate Similarity NPD5701 Approved
0.7471 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD8297 Approved
0.7453 Intermediate Similarity NPD6882 Approved
0.7447 Intermediate Similarity NPD6903 Approved
0.7447 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD5737 Approved
0.7447 Intermediate Similarity NPD6672 Approved
0.7442 Intermediate Similarity NPD5733 Approved
0.7429 Intermediate Similarity NPD5250 Approved
0.7429 Intermediate Similarity NPD5251 Approved
0.7429 Intermediate Similarity NPD5169 Approved
0.7429 Intermediate Similarity NPD5248 Approved
0.7429 Intermediate Similarity NPD5247 Approved
0.7429 Intermediate Similarity NPD5249 Phase 3
0.7429 Intermediate Similarity NPD5135 Approved
0.7429 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD4195 Approved
0.7396 Intermediate Similarity NPD5281 Approved
0.7396 Intermediate Similarity NPD8034 Phase 2
0.7396 Intermediate Similarity NPD8035 Phase 2
0.7396 Intermediate Similarity NPD5284 Approved
0.7381 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7902 Approved
0.7358 Intermediate Similarity NPD5127 Approved
0.7358 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5217 Approved
0.7358 Intermediate Similarity NPD5216 Approved
0.7358 Intermediate Similarity NPD5215 Approved
0.7333 Intermediate Similarity NPD4748 Discontinued
0.7333 Intermediate Similarity NPD4695 Discontinued
0.73 Intermediate Similarity NPD7638 Approved
0.7297 Intermediate Similarity NPD6054 Approved
0.7294 Intermediate Similarity NPD4747 Approved
0.7294 Intermediate Similarity NPD4691 Approved
0.7292 Intermediate Similarity NPD4096 Approved
0.7273 Intermediate Similarity NPD6117 Approved
0.7248 Intermediate Similarity NPD6868 Approved
0.7241 Intermediate Similarity NPD4687 Approved
0.7241 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD7640 Approved
0.7228 Intermediate Similarity NPD7639 Approved
0.7222 Intermediate Similarity NPD7645 Phase 2
0.7222 Intermediate Similarity NPD4632 Approved
0.7216 Intermediate Similarity NPD6411 Approved
0.7209 Intermediate Similarity NPD5276 Approved
0.7191 Intermediate Similarity NPD6116 Phase 1
0.7176 Intermediate Similarity NPD4137 Phase 3
0.7172 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6370 Approved
0.7159 Intermediate Similarity NPD3703 Phase 2
0.7156 Intermediate Similarity NPD5167 Approved
0.7143 Intermediate Similarity NPD6319 Approved
0.7143 Intermediate Similarity NPD6059 Approved
0.7143 Intermediate Similarity NPD5133 Approved
0.7129 Intermediate Similarity NPD5290 Discontinued
0.7129 Intermediate Similarity NPD5696 Approved
0.7117 Intermediate Similarity NPD6335 Approved
0.7111 Intermediate Similarity NPD6114 Approved
0.7111 Intermediate Similarity NPD6697 Approved
0.7111 Intermediate Similarity NPD6118 Approved
0.7111 Intermediate Similarity NPD6115 Approved
0.7108 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD4244 Approved
0.7093 Intermediate Similarity NPD4245 Approved
0.7093 Intermediate Similarity NPD4789 Approved
0.7091 Intermediate Similarity NPD6274 Approved
0.7083 Intermediate Similarity NPD4518 Approved
0.708 Intermediate Similarity NPD6015 Approved
0.708 Intermediate Similarity NPD6016 Approved
0.7071 Intermediate Similarity NPD7900 Approved
0.7071 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5360 Phase 3
0.7059 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD7100 Approved
0.7054 Intermediate Similarity NPD7101 Approved
0.7053 Intermediate Similarity NPD6098 Approved
0.7053 Intermediate Similarity NPD4623 Approved
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7045 Intermediate Similarity NPD4058 Approved
0.7045 Intermediate Similarity NPD6924 Approved
0.7045 Intermediate Similarity NPD6926 Approved
0.7043 Intermediate Similarity NPD7492 Approved
0.7041 Intermediate Similarity NPD6050 Approved
0.7027 Intermediate Similarity NPD6317 Approved
0.7027 Intermediate Similarity NPD6009 Approved
0.7018 Intermediate Similarity NPD5988 Approved
0.7011 Intermediate Similarity NPD4243 Approved
0.701 Intermediate Similarity NPD6673 Approved
0.701 Intermediate Similarity NPD6101 Approved
0.701 Intermediate Similarity NPD6904 Approved
0.701 Intermediate Similarity NPD6080 Approved
0.701 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6616 Approved
0.6981 Remote Similarity NPD6412 Phase 2
0.6979 Remote Similarity NPD3573 Approved
0.6977 Remote Similarity NPD3698 Phase 2
0.6964 Remote Similarity NPD6313 Approved

Structure

External Identifiers

PubChem CID   76310204
ChEMBL   CHEMBL3105558
ZINC  

Physicochemical Properties

Molecular Weight:  456.36
ALogP:  2.2143
MLogP:  4.43
XLogP:  6.619
# Rotatable Bonds:  14
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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