Natural Product: NPC136948

Natural Product ID:  NPC136948
Common Name:   Norselic Acid D
IUPAC Name:   (8R,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxylic acid
Synonyms:   Norselic Acid D
Molecular Formula:   C29H44O4
Standard InCHIKey:  FQQBBMUNHBMJPB-QEYQUZSWSA-N
Standard InCHI:  InChI=1S/C29H44O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h17,19,22-25,33H,2,6-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1
Canonical SMILES:  CC[C@](C(=C)C)(CC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)O)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
NPO33060 crella sp. Species Crellidae Eukaryota Antarctic PMID[19848433]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 2 nM 7411550

  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 NPC136948 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
0.9759 High Similarity NPC262043
0.9383 High Similarity NPC320514
0.9302 High Similarity NPC204341
0.9277 High Similarity NPC29447
0.9259 High Similarity NPC477372
0.9259 High Similarity NPC147066
0.9176 High Similarity NPC117122
0.9167 High Similarity NPC472869
0.9157 High Similarity NPC164577
0.9048 High Similarity NPC269638
0.9036 High Similarity NPC470015
0.9036 High Similarity NPC97913
0.9036 High Similarity NPC477373
0.9036 High Similarity NPC168188
0.9024 High Similarity NPC278459
0.9024 High Similarity NPC201912
0.9024 High Similarity NPC38350
0.9012 High Similarity NPC477371
0.8953 High Similarity NPC472870
0.8941 High Similarity NPC186975
0.8929 High Similarity NPC19849
0.8929 High Similarity NPC472865
0.8929 High Similarity NPC472864
0.8916 High Similarity NPC260956
0.8916 High Similarity NPC133391
0.8916 High Similarity NPC472239
0.8916 High Similarity NPC193347
0.8837 High Similarity NPC236618
0.8837 High Similarity NPC128644
0.8837 High Similarity NPC476409
0.8837 High Similarity NPC96496
0.8824 High Similarity NPC123319
0.8824 High Similarity NPC94531
0.8824 High Similarity NPC311702
0.881 High Similarity NPC83569
0.881 High Similarity NPC310470
0.881 High Similarity NPC69279
0.8795 High Similarity NPC471898
0.878 High Similarity NPC215843
0.8778 High Similarity NPC171395
0.8778 High Similarity NPC476174
0.8765 High Similarity NPC165711
0.875 High Similarity NPC472866
0.8736 High Similarity NPC48107
0.8706 High Similarity NPC144258
0.8706 High Similarity NPC165064
0.8706 High Similarity NPC248758
0.8706 High Similarity NPC85774
0.8706 High Similarity NPC214043
0.8706 High Similarity NPC96095
0.869 High Similarity NPC142253
0.869 High Similarity NPC3511
0.869 High Similarity NPC472867
0.8681 High Similarity NPC29152
0.8681 High Similarity NPC472941
0.8681 High Similarity NPC456
0.8675 High Similarity NPC37038
0.8667 High Similarity NPC8993
0.8659 High Similarity NPC179028
0.8659 High Similarity NPC471409
0.8659 High Similarity NPC275494
0.8652 High Similarity NPC473986
0.8652 High Similarity NPC475806
0.8652 High Similarity NPC474018
0.8652 High Similarity NPC473998
0.8642 High Similarity NPC180886
0.8636 High Similarity NPC214387
0.8636 High Similarity NPC66344
0.8636 High Similarity NPC305039
0.8636 High Similarity NPC473999
0.8636 High Similarity NPC474570
0.8636 High Similarity NPC309603
0.8605 High Similarity NPC8571
0.8605 High Similarity NPC11711
0.8605 High Similarity NPC469948
0.8605 High Similarity NPC473038
0.8605 High Similarity NPC60350
0.8605 High Similarity NPC471224
0.8588 High Similarity NPC167103
0.8588 High Similarity NPC477852
0.8588 High Similarity NPC49019
0.8588 High Similarity NPC472740
0.8587 High Similarity NPC156546
0.8587 High Similarity NPC107243
0.8571 High Similarity NPC173875
0.8571 High Similarity NPC469995
0.8571 High Similarity NPC174948
0.8571 High Similarity NPC318282
0.8556 High Similarity NPC472871
0.8556 High Similarity NPC243866
0.8554 High Similarity NPC231431
0.8554 High Similarity NPC158846
0.8539 High Similarity NPC477147
0.8539 High Similarity NPC469400
0.8539 High Similarity NPC48010
0.8539 High Similarity NPC477149
0.8537 High Similarity NPC66105
0.8537 High Similarity NPC97377
0.8537 High Similarity NPC61952
0.8523 High Similarity NPC72397
0.8506 High Similarity NPC145879
0.8506 High Similarity NPC474778
0.8506 High Similarity NPC474733
0.8506 High Similarity NPC469994
0.8506 High Similarity NPC155011
0.8506 High Similarity NPC31564
0.8506 High Similarity NPC474732
0.8495 Intermediate Similarity NPC235464
0.8495 Intermediate Similarity NPC197386
0.8495 Intermediate Similarity NPC166745
0.8488 Intermediate Similarity NPC473246
0.8488 Intermediate Similarity NPC16287
0.8488 Intermediate Similarity NPC87552
0.8488 Intermediate Similarity NPC181743
0.8488 Intermediate Similarity NPC209882
0.8488 Intermediate Similarity NPC194937
0.8488 Intermediate Similarity NPC237712
0.8488 Intermediate Similarity NPC178025
0.8488 Intermediate Similarity NPC476038
0.8478 Intermediate Similarity NPC155676
0.8478 Intermediate Similarity NPC328371
0.8471 Intermediate Similarity NPC321289
0.8471 Intermediate Similarity NPC327969
0.8471 Intermediate Similarity NPC100297
0.8444 Intermediate Similarity NPC476187
0.8444 Intermediate Similarity NPC470113
0.8444 Intermediate Similarity NPC154101
0.8434 Intermediate Similarity NPC110094
0.8434 Intermediate Similarity NPC198240
0.8434 Intermediate Similarity NPC280654
0.8434 Intermediate Similarity NPC321514
0.8434 Intermediate Similarity NPC74410
0.8434 Intermediate Similarity NPC260385
0.8427 Intermediate Similarity NPC477943
0.8427 Intermediate Similarity NPC310010
0.8427 Intermediate Similarity NPC326627
0.8427 Intermediate Similarity NPC1015
0.8427 Intermediate Similarity NPC31985
0.8427 Intermediate Similarity NPC2983
0.8427 Intermediate Similarity NPC475921
0.8427 Intermediate Similarity NPC476733
0.8427 Intermediate Similarity NPC215029
0.8427 Intermediate Similarity NPC474704
0.8415 Intermediate Similarity NPC246445
0.8409 Intermediate Similarity NPC90652
0.8409 Intermediate Similarity NPC475740
0.8409 Intermediate Similarity NPC474684
0.8409 Intermediate Similarity NPC142361
0.8409 Intermediate Similarity NPC93778
0.8409 Intermediate Similarity NPC58063
0.8409 Intermediate Similarity NPC317590
0.8404 Intermediate Similarity NPC287833
0.8404 Intermediate Similarity NPC51370
0.8391 Intermediate Similarity NPC474083
0.8391 Intermediate Similarity NPC283733
0.8391 Intermediate Similarity NPC474537
0.8391 Intermediate Similarity NPC142649
0.8387 Intermediate Similarity NPC475894
0.8387 Intermediate Similarity NPC57416
0.8387 Intermediate Similarity NPC108078
0.8387 Intermediate Similarity NPC253826
0.8387 Intermediate Similarity NPC476253
0.8387 Intermediate Similarity NPC320306
0.8372 Intermediate Similarity NPC3856
0.8372 Intermediate Similarity NPC279639
0.8372 Intermediate Similarity NPC105803
0.837 Intermediate Similarity NPC271195
0.8353 Intermediate Similarity NPC162632
0.8353 Intermediate Similarity NPC274050
0.8353 Intermediate Similarity NPC267691
0.8353 Intermediate Similarity NPC263272
0.8353 Intermediate Similarity NPC142244
0.8352 Intermediate Similarity NPC472930
0.8352 Intermediate Similarity NPC476416
0.8352 Intermediate Similarity NPC474807
0.8352 Intermediate Similarity NPC474736
0.8333 Intermediate Similarity NPC196827
0.8333 Intermediate Similarity NPC476369
0.8333 Intermediate Similarity NPC192744
0.8333 Intermediate Similarity NPC274996
0.8333 Intermediate Similarity NPC476437
0.8333 Intermediate Similarity NPC199595
0.8333 Intermediate Similarity NPC471896
0.8333 Intermediate Similarity NPC320026
0.8333 Intermediate Similarity NPC192329
0.8316 Intermediate Similarity NPC163372
0.8316 Intermediate Similarity NPC302537
0.8316 Intermediate Similarity NPC99411
0.8316 Intermediate Similarity NPC472924
0.8315 Intermediate Similarity NPC470417
0.8313 Intermediate Similarity NPC212661
0.8313 Intermediate Similarity NPC471035
0.8313 Intermediate Similarity NPC266193
0.8313 Intermediate Similarity NPC471899
0.8313 Intermediate Similarity NPC472300
0.8313 Intermediate Similarity NPC471897
0.8313 Intermediate Similarity NPC257666
0.8313 Intermediate Similarity NPC107039
0.8298 Intermediate Similarity NPC471717
0.8295 Intermediate Similarity NPC322159

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136948 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
0.8916 High Similarity NPD4221 Approved
0.8916 High Similarity NPD4223 Phase 3
0.8824 High Similarity NPD5329 Approved
0.8706 High Similarity NPD4197 Approved
0.8652 High Similarity NPD5281 Approved
0.8652 High Similarity NPD5284 Approved
0.8636 High Similarity NPD6673 Approved
0.8636 High Similarity NPD6080 Approved
0.8636 High Similarity NPD6904 Approved
0.8587 High Similarity NPD6084 Phase 2
0.8587 High Similarity NPD6083 Phase 2
0.8523 High Similarity NPD5737 Approved
0.8523 High Similarity NPD6672 Approved
0.8506 High Similarity NPD5205 Approved
0.8506 High Similarity NPD4688 Approved
0.8506 High Similarity NPD4689 Approved
0.8506 High Similarity NPD4693 Phase 3
0.8506 High Similarity NPD4690 Approved
0.8506 High Similarity NPD4138 Approved
0.8444 Intermediate Similarity NPD5693 Phase 1
0.8427 Intermediate Similarity NPD4753 Phase 2
0.837 Intermediate Similarity NPD5695 Phase 3
0.8352 Intermediate Similarity NPD6399 Phase 3
0.8315 Intermediate Similarity NPD5208 Approved
0.8298 Intermediate Similarity NPD5696 Approved
0.8295 Intermediate Similarity NPD4519 Discontinued
0.8295 Intermediate Similarity NPD7334 Approved
0.8295 Intermediate Similarity NPD6098 Approved
0.8295 Intermediate Similarity NPD4694 Approved
0.8295 Intermediate Similarity NPD6684 Approved
0.8295 Intermediate Similarity NPD7521 Approved
0.8295 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD7146 Approved
0.8295 Intermediate Similarity NPD5280 Approved
0.8295 Intermediate Similarity NPD5330 Approved
0.8295 Intermediate Similarity NPD4623 Approved
0.8295 Intermediate Similarity NPD5690 Phase 2
0.8295 Intermediate Similarity NPD6409 Approved
0.8276 Intermediate Similarity NPD3666 Approved
0.8276 Intermediate Similarity NPD3133 Approved
0.8276 Intermediate Similarity NPD3665 Phase 1
0.8276 Intermediate Similarity NPD4786 Approved
0.8242 Intermediate Similarity NPD6050 Approved
0.8222 Intermediate Similarity NPD5328 Approved
0.8214 Intermediate Similarity NPD3617 Approved
0.8172 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.8132 Intermediate Similarity NPD5692 Phase 3
0.8118 Intermediate Similarity NPD4195 Approved
0.8111 Intermediate Similarity NPD6903 Approved
0.8111 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.809 Intermediate Similarity NPD3618 Phase 1
0.8046 Intermediate Similarity NPD3667 Approved
0.8043 Intermediate Similarity NPD5694 Approved
0.8043 Intermediate Similarity NPD6079 Approved
0.8043 Intermediate Similarity NPD7515 Phase 2
0.8025 Intermediate Similarity NPD4747 Approved
0.8023 Intermediate Similarity NPD4695 Discontinued
0.8022 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD7128 Approved
0.798 Intermediate Similarity NPD6402 Approved
0.798 Intermediate Similarity NPD5739 Approved
0.798 Intermediate Similarity NPD6675 Approved
0.7979 Intermediate Similarity NPD5210 Approved
0.7979 Intermediate Similarity NPD4629 Approved
0.7957 Intermediate Similarity NPD4202 Approved
0.7935 Intermediate Similarity NPD5207 Approved
0.7901 Intermediate Similarity NPD4137 Phase 3
0.7889 Intermediate Similarity NPD5279 Phase 3
0.7872 Intermediate Similarity NPD7748 Approved
0.7872 Intermediate Similarity NPD6001 Approved
0.7857 Intermediate Similarity NPD5211 Phase 2
0.7835 Intermediate Similarity NPD6404 Discontinued
0.7822 Intermediate Similarity NPD6899 Approved
0.7822 Intermediate Similarity NPD6881 Approved
0.7822 Intermediate Similarity NPD7320 Approved
0.7812 Intermediate Similarity NPD4755 Approved
0.7805 Intermediate Similarity NPD4691 Approved
0.7753 Intermediate Similarity NPD4788 Approved
0.7745 Intermediate Similarity NPD6372 Approved
0.7745 Intermediate Similarity NPD6373 Approved
0.7742 Intermediate Similarity NPD4096 Approved
0.7738 Intermediate Similarity NPD5733 Approved
0.7727 Intermediate Similarity NPD4139 Approved
0.7727 Intermediate Similarity NPD4692 Approved
0.7723 Intermediate Similarity NPD5697 Approved
0.7723 Intermediate Similarity NPD5701 Approved
0.7711 Intermediate Similarity NPD4243 Approved
0.7708 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD5221 Approved
0.7708 Intermediate Similarity NPD5222 Approved
0.7708 Intermediate Similarity NPD4697 Phase 3
0.77 Intermediate Similarity NPD5141 Approved
0.767 Intermediate Similarity NPD6883 Approved
0.767 Intermediate Similarity NPD7102 Approved
0.767 Intermediate Similarity NPD7290 Approved
0.7667 Intermediate Similarity NPD3668 Phase 3
0.7653 Intermediate Similarity NPD5285 Approved
0.7653 Intermediate Similarity NPD7640 Approved
0.7653 Intermediate Similarity NPD7639 Approved
0.7653 Intermediate Similarity NPD4700 Approved
0.7653 Intermediate Similarity NPD5286 Approved
0.7653 Intermediate Similarity NPD4696 Approved
0.7647 Intermediate Similarity NPD6011 Approved
0.7629 Intermediate Similarity NPD5173 Approved
0.7629 Intermediate Similarity NPD7902 Approved
0.7609 Intermediate Similarity NPD3573 Approved
0.7604 Intermediate Similarity NPD5654 Approved
0.76 Intermediate Similarity NPD6052 Approved
0.7596 Intermediate Similarity NPD6649 Approved
0.7596 Intermediate Similarity NPD8130 Phase 1
0.7596 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD6847 Approved
0.7596 Intermediate Similarity NPD6650 Approved
0.7596 Intermediate Similarity NPD6617 Approved
0.7596 Intermediate Similarity NPD6869 Approved
0.7586 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD5133 Approved
0.7576 Intermediate Similarity NPD5223 Approved
0.7573 Intermediate Similarity NPD6012 Approved
0.7573 Intermediate Similarity NPD6014 Approved
0.7573 Intermediate Similarity NPD6013 Approved
0.757 Intermediate Similarity NPD7115 Discovery
0.7551 Intermediate Similarity NPD7638 Approved
0.7529 Intermediate Similarity NPD4687 Approved
0.7529 Intermediate Similarity NPD4784 Approved
0.7529 Intermediate Similarity NPD4785 Approved
0.7529 Intermediate Similarity NPD4058 Approved
0.7527 Intermediate Similarity NPD4518 Approved
0.7526 Intermediate Similarity NPD7614 Phase 1
0.7524 Intermediate Similarity NPD6882 Approved
0.7524 Intermediate Similarity NPD8297 Approved
0.75 Intermediate Similarity NPD5225 Approved
0.75 Intermediate Similarity NPD5091 Approved
0.75 Intermediate Similarity NPD4633 Approved
0.75 Intermediate Similarity NPD5226 Approved
0.75 Intermediate Similarity NPD6081 Approved
0.75 Intermediate Similarity NPD5276 Approved
0.75 Intermediate Similarity NPD5224 Approved
0.7449 Intermediate Similarity NPD5959 Approved
0.7444 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD5174 Approved
0.7426 Intermediate Similarity NPD5175 Approved
0.7426 Intermediate Similarity NPD4754 Approved
0.7379 Intermediate Similarity NPD6614 Approved
0.7349 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD7900 Approved
0.732 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4224 Phase 2
0.7292 Intermediate Similarity NPD8034 Phase 2
0.7292 Intermediate Similarity NPD8035 Phase 2
0.729 Intermediate Similarity NPD4632 Approved
0.7282 Intermediate Similarity NPD4768 Approved
0.7282 Intermediate Similarity NPD6008 Approved
0.7282 Intermediate Similarity NPD4767 Approved
0.7263 Intermediate Similarity NPD6051 Approved
0.7241 Intermediate Similarity NPD5275 Approved
0.7241 Intermediate Similarity NPD7339 Approved
0.7241 Intermediate Similarity NPD6942 Approved
0.7241 Intermediate Similarity NPD4190 Phase 3
0.7222 Intermediate Similarity NPD7525 Registered
0.7212 Intermediate Similarity NPD6412 Phase 2
0.7182 Intermediate Similarity NPD6335 Approved
0.7156 Intermediate Similarity NPD6274 Approved
0.7156 Intermediate Similarity NPD6868 Approved
0.7143 Intermediate Similarity NPD5360 Phase 3
0.7143 Intermediate Similarity NPD5128 Approved
0.7143 Intermediate Similarity NPD4730 Approved
0.7143 Intermediate Similarity NPD4729 Approved
0.7143 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7100 Approved
0.7117 Intermediate Similarity NPD7101 Approved
0.7108 Intermediate Similarity NPD7331 Phase 2
0.7091 Intermediate Similarity NPD6009 Approved
0.7091 Intermediate Similarity NPD6317 Approved
0.7027 Intermediate Similarity NPD6314 Approved
0.7027 Intermediate Similarity NPD6313 Approved
0.7021 Intermediate Similarity NPD5363 Approved
0.701 Intermediate Similarity NPD5785 Approved
0.7009 Intermediate Similarity NPD4634 Approved
0.7009 Intermediate Similarity NPD5248 Approved
0.7009 Intermediate Similarity NPD5249 Phase 3
0.7009 Intermediate Similarity NPD5247 Approved
0.7009 Intermediate Similarity NPD5135 Approved
0.7009 Intermediate Similarity NPD5169 Approved
0.7009 Intermediate Similarity NPD5251 Approved
0.7009 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD5250 Approved
0.7 Intermediate Similarity NPD7732 Phase 3
0.6991 Remote Similarity NPD6908 Approved
0.6991 Remote Similarity NPD6909 Approved
0.699 Remote Similarity NPD7632 Discontinued
0.6989 Remote Similarity NPD5362 Discontinued
0.6988 Remote Similarity NPD7341 Phase 2
0.6981 Remote Similarity NPD5168 Approved
0.6966 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6117 Approved
0.6944 Remote Similarity NPD5216 Approved
0.6944 Remote Similarity NPD5127 Approved
0.6944 Remote Similarity NPD5215 Approved

Structure

External Identifiers

PubChem CID   44557651
ChEMBL   CHEMBL1221414
ZINC  

Physicochemical Properties

Molecular Weight:  456.32
ALogP:  1.2163
MLogP:  4.21
XLogP:  5.643
# Rotatable Bonds:  13
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# 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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