Natural Product: NPC19849

Natural Product ID:  NPC19849
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O4
Standard InCHIKey:  GXLUGCOZQDLXAJ-PALRBIRWSA-N
Standard InCHI:  InChI=1S/C30H44O4/c1-18(2)23-11-12-24-26(29(23,6)16-14-27(31)32)17-25-21(5)22(13-15-30(24,25)7)19(3)9-8-10-20(4)28(33)34/h10,17,19,22-25H,1,5,8-9,11-16H2,2-4,6-7H3,(H,31,32)(H,33,34)/b20-10-/t19-,22-,23+,24-,25+,29+,30+/m1/s1
Canonical SMILES:  OC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=C[C@@H]1[C@@]2(C)CC[C@@H](C1=C)[C@@H](CC/C=C(C(=O)O)/C)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
NPO912 Kadsura coccinea Species Schisandraceae Eukaryota PMID[26214125]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT660 Cell Line SW480 Homo sapiens IC50 > 10000 nM PubChem BioAssay data set
NPT1452 Cell Line C8166 Homo sapiens CC50 = 203200 nM 15568767
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 22831798
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 19836231
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 20210346
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 88200 nM 19013823
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 10000 nM 20843939
NPT2 Others Unspecified Ratio CC50/EC50 = 2.3 19007183

  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 NPC19849 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 NPC472864
0.975 High Similarity NPC472869
0.9747 High Similarity NPC472865
0.9512 High Similarity NPC472870
0.9506 High Similarity NPC186975
0.95 High Similarity NPC164577
0.95 High Similarity NPC248758
0.939 High Similarity NPC236618
0.9375 High Similarity NPC97913
0.9286 High Similarity NPC472866
0.9277 High Similarity NPC117122
0.9231 High Similarity NPC198240
0.9167 High Similarity NPC66344
0.9103 High Similarity NPC61952
0.907 High Similarity NPC472871
0.8953 High Similarity NPC470113
0.8941 High Similarity NPC262043
0.8929 High Similarity NPC136948
0.8916 High Similarity NPC269638
0.878 High Similarity NPC472867
0.8736 High Similarity NPC473986
0.8736 High Similarity NPC476187
0.8736 High Similarity NPC474018
0.8706 High Similarity NPC128644
0.869 High Similarity NPC29447
0.8675 High Similarity NPC167103
0.8675 High Similarity NPC215893
0.8659 High Similarity NPC278459
0.8659 High Similarity NPC477372
0.8659 High Similarity NPC40228
0.8652 High Similarity NPC293052
0.8652 High Similarity NPC476174
0.8642 High Similarity NPC158846
0.8608 High Similarity NPC476795
0.8571 High Similarity NPC194937
0.8571 High Similarity NPC476038
0.8556 High Similarity NPC29152
0.8554 High Similarity NPC320514
0.8554 High Similarity NPC472239
0.8523 High Similarity NPC204341
0.8519 High Similarity NPC239098
0.8506 High Similarity NPC174342
0.8488 Intermediate Similarity NPC476409
0.8478 Intermediate Similarity NPC470074
0.8471 Intermediate Similarity NPC60350
0.8471 Intermediate Similarity NPC65661
0.8471 Intermediate Similarity NPC283733
0.8462 Intermediate Similarity NPC156546
0.8462 Intermediate Similarity NPC476253
0.8452 Intermediate Similarity NPC279639
0.8452 Intermediate Similarity NPC3856
0.8452 Intermediate Similarity NPC49019
0.8434 Intermediate Similarity NPC147066
0.8415 Intermediate Similarity NPC477371
0.8395 Intermediate Similarity NPC97377
0.8391 Intermediate Similarity NPC104560
0.8391 Intermediate Similarity NPC48107
0.8387 Intermediate Similarity NPC118174
0.8354 Intermediate Similarity NPC35656
0.8353 Intermediate Similarity NPC16287
0.8353 Intermediate Similarity NPC165064
0.8353 Intermediate Similarity NPC178025
0.8353 Intermediate Similarity NPC181743
0.8352 Intermediate Similarity NPC456
0.8352 Intermediate Similarity NPC472941
0.8352 Intermediate Similarity NPC250757
0.8352 Intermediate Similarity NPC301534
0.8333 Intermediate Similarity NPC469805
0.8333 Intermediate Similarity NPC133391
0.8333 Intermediate Similarity NPC469804
0.8333 Intermediate Similarity NPC469799
0.8333 Intermediate Similarity NPC469806
0.8333 Intermediate Similarity NPC142253
0.8333 Intermediate Similarity NPC235586
0.8333 Intermediate Similarity NPC3511
0.8295 Intermediate Similarity NPC214387
0.8293 Intermediate Similarity NPC260385
0.8293 Intermediate Similarity NPC280654
0.8293 Intermediate Similarity NPC59436
0.8293 Intermediate Similarity NPC110094
0.8293 Intermediate Similarity NPC74410
0.8293 Intermediate Similarity NPC169095
0.8293 Intermediate Similarity NPC179028
0.828 Intermediate Similarity NPC471041
0.8272 Intermediate Similarity NPC246445
0.8272 Intermediate Similarity NPC180886
0.8256 Intermediate Similarity NPC86316
0.8256 Intermediate Similarity NPC106416
0.8256 Intermediate Similarity NPC142649
0.8256 Intermediate Similarity NPC8571
0.8235 Intermediate Similarity NPC168188
0.8235 Intermediate Similarity NPC472740
0.8235 Intermediate Similarity NPC310470
0.8235 Intermediate Similarity NPC470015
0.8235 Intermediate Similarity NPC477373
0.8228 Intermediate Similarity NPC160817
0.8222 Intermediate Similarity NPC151722
0.8214 Intermediate Similarity NPC229584
0.8214 Intermediate Similarity NPC90055
0.8214 Intermediate Similarity NPC471898
0.8214 Intermediate Similarity NPC14203
0.8214 Intermediate Similarity NPC201912
0.8214 Intermediate Similarity NPC38350
0.8202 Intermediate Similarity NPC477147
0.8202 Intermediate Similarity NPC477149
0.8193 Intermediate Similarity NPC199595
0.8193 Intermediate Similarity NPC196827
0.8193 Intermediate Similarity NPC274996
0.8182 Intermediate Similarity NPC72397
0.8172 Intermediate Similarity NPC197386
0.8172 Intermediate Similarity NPC166745
0.8172 Intermediate Similarity NPC98868
0.8172 Intermediate Similarity NPC471717
0.8172 Intermediate Similarity NPC235464
0.8171 Intermediate Similarity NPC107039
0.8171 Intermediate Similarity NPC471897
0.8171 Intermediate Similarity NPC165711
0.8171 Intermediate Similarity NPC471899
0.8171 Intermediate Similarity NPC132542
0.8152 Intermediate Similarity NPC235053
0.8148 Intermediate Similarity NPC476844
0.8148 Intermediate Similarity NPC192540
0.8148 Intermediate Similarity NPC201027
0.8148 Intermediate Similarity NPC469803
0.8148 Intermediate Similarity NPC472327
0.8148 Intermediate Similarity NPC279666
0.814 Intermediate Similarity NPC96095
0.814 Intermediate Similarity NPC87552
0.8125 Intermediate Similarity NPC472868
0.8118 Intermediate Similarity NPC200513
0.8118 Intermediate Similarity NPC142683
0.8118 Intermediate Similarity NPC260956
0.8111 Intermediate Similarity NPC473998
0.8111 Intermediate Similarity NPC165904
0.8111 Intermediate Similarity NPC477783
0.8111 Intermediate Similarity NPC179517
0.8111 Intermediate Similarity NPC289479
0.8095 Intermediate Similarity NPC37038
0.8095 Intermediate Similarity NPC469798
0.8095 Intermediate Similarity NPC469797
0.8095 Intermediate Similarity NPC104545
0.809 Intermediate Similarity NPC262858
0.809 Intermediate Similarity NPC310236
0.809 Intermediate Similarity NPC5509
0.809 Intermediate Similarity NPC309603
0.809 Intermediate Similarity NPC472240
0.809 Intermediate Similarity NPC146554
0.809 Intermediate Similarity NPC473999
0.8085 Intermediate Similarity NPC287833
0.8085 Intermediate Similarity NPC476274
0.8077 Intermediate Similarity NPC36616
0.8077 Intermediate Similarity NPC290445
0.8072 Intermediate Similarity NPC471409
0.8072 Intermediate Similarity NPC321514
0.8072 Intermediate Similarity NPC275494
0.8068 Intermediate Similarity NPC96496
0.8068 Intermediate Similarity NPC476293
0.8065 Intermediate Similarity NPC253826
0.8049 Intermediate Similarity NPC89294
0.8049 Intermediate Similarity NPC69143
0.8046 Intermediate Similarity NPC474537
0.8046 Intermediate Similarity NPC123319
0.8046 Intermediate Similarity NPC94531
0.8046 Intermediate Similarity NPC471224
0.8046 Intermediate Similarity NPC311702
0.8043 Intermediate Similarity NPC173875
0.8043 Intermediate Similarity NPC171395
0.8043 Intermediate Similarity NPC318282
0.8043 Intermediate Similarity NPC469995
0.8043 Intermediate Similarity NPC174948
0.8025 Intermediate Similarity NPC251970
0.8025 Intermediate Similarity NPC161923
0.8025 Intermediate Similarity NPC46610
0.8025 Intermediate Similarity NPC283908
0.8025 Intermediate Similarity NPC241854
0.8025 Intermediate Similarity NPC476046
0.8025 Intermediate Similarity NPC237591
0.8025 Intermediate Similarity NPC18819
0.8025 Intermediate Similarity NPC3753
0.8025 Intermediate Similarity NPC103958
0.8025 Intermediate Similarity NPC183503
0.8023 Intermediate Similarity NPC83569
0.8023 Intermediate Similarity NPC69279
0.8023 Intermediate Similarity NPC105803
0.8022 Intermediate Similarity NPC476416
0.8022 Intermediate Similarity NPC476304
0.8022 Intermediate Similarity NPC474736
0.8022 Intermediate Similarity NPC38232
0.8022 Intermediate Similarity NPC472303
0.8 Intermediate Similarity NPC99411
0.8 Intermediate Similarity NPC48010
0.8 Intermediate Similarity NPC133253
0.8 Intermediate Similarity NPC476223
0.8 Intermediate Similarity NPC282524
0.8 Intermediate Similarity NPC476369
0.8 Intermediate Similarity NPC21944
0.8 Intermediate Similarity NPC224720
0.8 Intermediate Similarity NPC472924
0.8 Intermediate Similarity NPC221647
0.8 Intermediate Similarity NPC476240

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC19849 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
0.8118 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD4623 Approved
0.7955 Intermediate Similarity NPD4519 Discontinued
0.7907 Intermediate Similarity NPD4223 Phase 3
0.7907 Intermediate Similarity NPD4221 Approved
0.7895 Intermediate Similarity NPD6404 Discontinued
0.7841 Intermediate Similarity NPD5329 Approved
0.7778 Intermediate Similarity NPD6672 Approved
0.7778 Intermediate Similarity NPD5737 Approved
0.7727 Intermediate Similarity NPD4197 Approved
0.7717 Intermediate Similarity NPD5284 Approved
0.7717 Intermediate Similarity NPD5281 Approved
0.7692 Intermediate Similarity NPD6904 Approved
0.7692 Intermediate Similarity NPD6080 Approved
0.7692 Intermediate Similarity NPD6673 Approved
0.7684 Intermediate Similarity NPD6084 Phase 2
0.7684 Intermediate Similarity NPD6083 Phase 2
0.7674 Intermediate Similarity NPD4695 Discontinued
0.7634 Intermediate Similarity NPD6399 Phase 3
0.7556 Intermediate Similarity NPD4688 Approved
0.7556 Intermediate Similarity NPD4138 Approved
0.7556 Intermediate Similarity NPD5690 Phase 2
0.7556 Intermediate Similarity NPD6409 Approved
0.7556 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD4689 Approved
0.7556 Intermediate Similarity NPD4690 Approved
0.7556 Intermediate Similarity NPD6684 Approved
0.7556 Intermediate Similarity NPD7146 Approved
0.7556 Intermediate Similarity NPD4693 Phase 3
0.7556 Intermediate Similarity NPD7521 Approved
0.7556 Intermediate Similarity NPD7334 Approved
0.7556 Intermediate Similarity NPD5205 Approved
0.7556 Intermediate Similarity NPD5330 Approved
0.7528 Intermediate Similarity NPD3666 Approved
0.7528 Intermediate Similarity NPD3665 Phase 1
0.7528 Intermediate Similarity NPD3133 Approved
0.7528 Intermediate Similarity NPD4786 Approved
0.7527 Intermediate Similarity NPD5693 Phase 1
0.7527 Intermediate Similarity NPD7515 Phase 2
0.7527 Intermediate Similarity NPD6079 Approved
0.7526 Intermediate Similarity NPD7640 Approved
0.7526 Intermediate Similarity NPD7639 Approved
0.75 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5328 Approved
0.7474 Intermediate Similarity NPD5695 Phase 3
0.7442 Intermediate Similarity NPD3617 Approved
0.7442 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7638 Approved
0.7423 Intermediate Similarity NPD5696 Approved
0.7391 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5208 Approved
0.7391 Intermediate Similarity NPD6903 Approved
0.7368 Intermediate Similarity NPD7748 Approved
0.7363 Intermediate Similarity NPD5280 Approved
0.7363 Intermediate Similarity NPD4694 Approved
0.7363 Intermediate Similarity NPD3618 Phase 1
0.7363 Intermediate Similarity NPD6098 Approved
0.7356 Intermediate Similarity NPD4195 Approved
0.734 Intermediate Similarity NPD6050 Approved
0.7303 Intermediate Similarity NPD3667 Approved
0.7292 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4629 Approved
0.7292 Intermediate Similarity NPD5210 Approved
0.7253 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD5692 Phase 3
0.7229 Intermediate Similarity NPD4691 Approved
0.7229 Intermediate Similarity NPD4747 Approved
0.7222 Intermediate Similarity NPD4788 Approved
0.7222 Intermediate Similarity NPD5362 Discontinued
0.7216 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD5221 Approved
0.7216 Intermediate Similarity NPD7614 Phase 1
0.7216 Intermediate Similarity NPD5222 Approved
0.72 Intermediate Similarity NPD5211 Phase 2
0.7184 Intermediate Similarity NPD6881 Approved
0.7184 Intermediate Similarity NPD6899 Approved
0.7174 Intermediate Similarity NPD5279 Phase 3
0.7158 Intermediate Similarity NPD5694 Approved
0.7157 Intermediate Similarity NPD7128 Approved
0.7157 Intermediate Similarity NPD6675 Approved
0.7157 Intermediate Similarity NPD5739 Approved
0.7157 Intermediate Similarity NPD6402 Approved
0.7143 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD5173 Approved
0.713 Intermediate Similarity NPD7115 Discovery
0.7108 Intermediate Similarity NPD4137 Phase 3
0.7097 Intermediate Similarity NPD3573 Approved
0.7087 Intermediate Similarity NPD5697 Approved
0.7083 Intermediate Similarity NPD4202 Approved
0.7071 Intermediate Similarity NPD4225 Approved
0.7065 Intermediate Similarity NPD5363 Approved
0.7059 Intermediate Similarity NPD5141 Approved
0.7053 Intermediate Similarity NPD5785 Approved
0.7053 Intermediate Similarity NPD5207 Approved
0.7048 Intermediate Similarity NPD7290 Approved
0.7048 Intermediate Similarity NPD7102 Approved
0.7048 Intermediate Similarity NPD6883 Approved
0.7041 Intermediate Similarity NPD4697 Phase 3
0.7019 Intermediate Similarity NPD6686 Approved
0.7019 Intermediate Similarity NPD6011 Approved
0.7019 Intermediate Similarity NPD7320 Approved
0.701 Intermediate Similarity NPD6001 Approved
0.7 Intermediate Similarity NPD5286 Approved
0.7 Intermediate Similarity NPD4696 Approved
0.7 Intermediate Similarity NPD5285 Approved
0.6981 Remote Similarity NPD6617 Approved
0.6981 Remote Similarity NPD6847 Approved
0.6981 Remote Similarity NPD8130 Phase 1
0.6981 Remote Similarity NPD6650 Approved
0.6981 Remote Similarity NPD6869 Approved
0.6981 Remote Similarity NPD6649 Approved
0.6979 Remote Similarity NPD8035 Phase 2
0.6979 Remote Similarity NPD8034 Phase 2
0.6979 Remote Similarity NPD7637 Suspended
0.6977 Remote Similarity NPD5733 Approved
0.6977 Remote Similarity NPD4058 Approved
0.697 Remote Similarity NPD4755 Approved
0.6957 Remote Similarity NPD3668 Phase 3
0.6952 Remote Similarity NPD6013 Approved
0.6952 Remote Similarity NPD6012 Approved
0.6952 Remote Similarity NPD6014 Approved
0.6952 Remote Similarity NPD6372 Approved
0.6952 Remote Similarity NPD6373 Approved
0.6941 Remote Similarity NPD4243 Approved
0.6941 Remote Similarity NPD6081 Approved
0.6931 Remote Similarity NPD5223 Approved
0.6923 Remote Similarity NPD5701 Approved
0.6916 Remote Similarity NPD8297 Approved
0.6916 Remote Similarity NPD6882 Approved
0.6882 Remote Similarity NPD1694 Approved
0.6875 Remote Similarity NPD4096 Approved
0.6863 Remote Similarity NPD5224 Approved
0.6863 Remote Similarity NPD7632 Discontinued
0.6863 Remote Similarity NPD5225 Approved
0.6863 Remote Similarity NPD5091 Approved
0.6863 Remote Similarity NPD4633 Approved
0.6863 Remote Similarity NPD5226 Approved
0.6848 Remote Similarity NPD7154 Phase 3
0.6837 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6837 Remote Similarity NPD7900 Approved
0.6832 Remote Similarity NPD4700 Approved
0.6822 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4139 Approved
0.6813 Remote Similarity NPD4692 Approved
0.6796 Remote Similarity NPD5174 Approved
0.6796 Remote Similarity NPD6052 Approved
0.6796 Remote Similarity NPD5175 Approved
0.6782 Remote Similarity NPD4687 Approved
0.6782 Remote Similarity NPD4785 Approved
0.6782 Remote Similarity NPD4784 Approved
0.6771 Remote Similarity NPD6051 Approved
0.6768 Remote Similarity NPD5654 Approved
0.6762 Remote Similarity NPD6614 Approved
0.6747 Remote Similarity NPD4224 Phase 2
0.6744 Remote Similarity NPD5276 Approved
0.6739 Remote Similarity NPD4270 Approved
0.6739 Remote Similarity NPD4269 Approved
0.6735 Remote Similarity NPD5133 Approved
0.6727 Remote Similarity NPD6868 Approved
0.6705 Remote Similarity NPD7339 Approved
0.6705 Remote Similarity NPD6942 Approved
0.6703 Remote Similarity NPD7525 Registered
0.67 Remote Similarity NPD7732 Phase 3
0.6697 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD5331 Approved
0.6667 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4518 Approved
0.6667 Remote Similarity NPD5332 Approved
0.6635 Remote Similarity NPD4754 Approved
0.6634 Remote Similarity NPD5959 Approved
0.663 Remote Similarity NPD4790 Discontinued
0.663 Remote Similarity NPD857 Phase 3
0.6629 Remote Similarity NPD6117 Approved
0.6607 Remote Similarity NPD6335 Approved
0.6604 Remote Similarity NPD6412 Phase 2
0.6593 Remote Similarity NPD6929 Approved
0.6591 Remote Similarity NPD6926 Approved
0.6591 Remote Similarity NPD6924 Approved
0.6591 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6588 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6274 Approved
0.6566 Remote Similarity NPD5778 Approved
0.6566 Remote Similarity NPD5779 Approved
0.6556 Remote Similarity NPD6116 Phase 1
0.6549 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD7101 Approved
0.6548 Remote Similarity NPD7331 Phase 2
0.6542 Remote Similarity NPD4729 Approved
0.6542 Remote Similarity NPD5168 Approved
0.6542 Remote Similarity NPD5128 Approved
0.6542 Remote Similarity NPD4730 Approved
0.6526 Remote Similarity NPD1696 Phase 3
0.6522 Remote Similarity NPD4821 Approved
0.6522 Remote Similarity NPD4252 Approved
0.6522 Remote Similarity NPD4819 Approved
0.6522 Remote Similarity NPD4822 Approved
0.6522 Remote Similarity NPD7332 Phase 2
0.6522 Remote Similarity NPD6931 Approved
0.6522 Remote Similarity NPD6930 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3593378
ZINC  

Physicochemical Properties

Molecular Weight:  468.32
ALogP:  4.1904
MLogP:  4.32
XLogP:  8.707
# Rotatable Bonds:  16
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  34

Download Data

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