Natural Product: NPC476427

Natural Product ID:  NPC476427
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O4
Standard InCHIKey:  OOHFJWCHEFCJDC-AXDKOMKPSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,21,22)/t15-,17+,18-,19-,20+/m0/s1
Canonical SMILES:  CC([C@@]12CC[C@@]3(OO1)C(=C2)CC[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)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
NPO2882 Abies georgei Species Pinaceae Eukaryota Aerial parts Zhongdian city, Yunnan Province of China PMID[20022253]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT114 Cell Line LoVo Homo sapiens IC50 > 25 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 25 ug/ml 25630222
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 100 ug/ml 15920768
NPT2 Others Unspecified IC50 > 100 ug/ml DrugMatrix in vitro pharmacology data

  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 NPC476427 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 NPC475101
1.0 High Similarity NPC124927
0.9756 High Similarity NPC470415
0.9111 High Similarity NPC472851
0.8523 High Similarity NPC231599
0.8478 Intermediate Similarity NPC266899
0.8352 Intermediate Similarity NPC476417
0.8172 Intermediate Similarity NPC470958
0.8172 Intermediate Similarity NPC470957
0.814 Intermediate Similarity NPC37038
0.8105 Intermediate Similarity NPC189880
0.8085 Intermediate Similarity NPC473240
0.8046 Intermediate Similarity NPC221647
0.8023 Intermediate Similarity NPC231431
0.8022 Intermediate Similarity NPC48107
0.8 Intermediate Similarity NPC61952
0.8 Intermediate Similarity NPC239685
0.8 Intermediate Similarity NPC476318
0.8 Intermediate Similarity NPC476327
0.7917 Intermediate Similarity NPC170131
0.7912 Intermediate Similarity NPC476932
0.7912 Intermediate Similarity NPC476409
0.7907 Intermediate Similarity NPC280654
0.7907 Intermediate Similarity NPC198240
0.7907 Intermediate Similarity NPC110094
0.7907 Intermediate Similarity NPC260385
0.7889 Intermediate Similarity NPC471344
0.7872 Intermediate Similarity NPC131840
0.7865 Intermediate Similarity NPC107253
0.7857 Intermediate Similarity NPC103958
0.7857 Intermediate Similarity NPC183503
0.7857 Intermediate Similarity NPC161923
0.7857 Intermediate Similarity NPC283908
0.7841 Intermediate Similarity NPC226068
0.7841 Intermediate Similarity NPC142244
0.7835 Intermediate Similarity NPC58942
0.7835 Intermediate Similarity NPC260149
0.7822 Intermediate Similarity NPC64844
0.7822 Intermediate Similarity NPC42847
0.7816 Intermediate Similarity NPC199595
0.7812 Intermediate Similarity NPC235053
0.7812 Intermediate Similarity NPC29952
0.7802 Intermediate Similarity NPC73038
0.7802 Intermediate Similarity NPC473226
0.7802 Intermediate Similarity NPC262085
0.7802 Intermediate Similarity NPC82979
0.7802 Intermediate Similarity NPC476104
0.7791 Intermediate Similarity NPC165711
0.7791 Intermediate Similarity NPC471897
0.7791 Intermediate Similarity NPC107039
0.7791 Intermediate Similarity NPC471899
0.7789 Intermediate Similarity NPC474963
0.7778 Intermediate Similarity NPC162973
0.7778 Intermediate Similarity NPC156981
0.7765 Intermediate Similarity NPC279666
0.7765 Intermediate Similarity NPC192540
0.7755 Intermediate Similarity NPC471041
0.7755 Intermediate Similarity NPC471413
0.7742 Intermediate Similarity NPC64872
0.7742 Intermediate Similarity NPC471342
0.7742 Intermediate Similarity NPC25906
0.7742 Intermediate Similarity NPC290972
0.7742 Intermediate Similarity NPC469866
0.7732 Intermediate Similarity NPC473456
0.7727 Intermediate Similarity NPC104545
0.7717 Intermediate Similarity NPC30421
0.7708 Intermediate Similarity NPC134067
0.7708 Intermediate Similarity NPC272617
0.7708 Intermediate Similarity NPC139570
0.7708 Intermediate Similarity NPC290481
0.7708 Intermediate Similarity NPC53565
0.7701 Intermediate Similarity NPC179028
0.7701 Intermediate Similarity NPC321514
0.7701 Intermediate Similarity NPC239098
0.77 Intermediate Similarity NPC90177
0.7692 Intermediate Similarity NPC269638
0.7692 Intermediate Similarity NPC224345
0.7684 Intermediate Similarity NPC118490
0.7684 Intermediate Similarity NPC158059
0.7684 Intermediate Similarity NPC476416
0.7684 Intermediate Similarity NPC202728
0.7684 Intermediate Similarity NPC477855
0.7684 Intermediate Similarity NPC118519
0.7677 Intermediate Similarity NPC471412
0.7674 Intermediate Similarity NPC89294
0.7674 Intermediate Similarity NPC69143
0.767 Intermediate Similarity NPC143706
0.767 Intermediate Similarity NPC472534
0.766 Intermediate Similarity NPC120968
0.766 Intermediate Similarity NPC214844
0.766 Intermediate Similarity NPC273621
0.766 Intermediate Similarity NPC232202
0.766 Intermediate Similarity NPC227467
0.766 Intermediate Similarity NPC210037
0.766 Intermediate Similarity NPC130278
0.766 Intermediate Similarity NPC290614
0.766 Intermediate Similarity NPC193750
0.766 Intermediate Similarity NPC18872
0.766 Intermediate Similarity NPC476369
0.766 Intermediate Similarity NPC7260
0.766 Intermediate Similarity NPC477872
0.766 Intermediate Similarity NPC476437
0.7647 Intermediate Similarity NPC3753
0.7647 Intermediate Similarity NPC46610
0.7647 Intermediate Similarity NPC241854
0.7647 Intermediate Similarity NPC476046
0.7647 Intermediate Similarity NPC237591
0.7647 Intermediate Similarity NPC18819
0.7647 Intermediate Similarity NPC251970
0.764 Intermediate Similarity NPC40228
0.764 Intermediate Similarity NPC162632
0.764 Intermediate Similarity NPC274050
0.764 Intermediate Similarity NPC471898
0.764 Intermediate Similarity NPC263272
0.764 Intermediate Similarity NPC229584
0.764 Intermediate Similarity NPC267691
0.764 Intermediate Similarity NPC14203
0.764 Intermediate Similarity NPC278459
0.7634 Intermediate Similarity NPC104560
0.7634 Intermediate Similarity NPC50847
0.7634 Intermediate Similarity NPC52169
0.7634 Intermediate Similarity NPC182797
0.7629 Intermediate Similarity NPC116457
0.7629 Intermediate Similarity NPC477853
0.7629 Intermediate Similarity NPC307282
0.7629 Intermediate Similarity NPC305464
0.7629 Intermediate Similarity NPC19376
0.7629 Intermediate Similarity NPC25848
0.7624 Intermediate Similarity NPC475036
0.7624 Intermediate Similarity NPC474281
0.7614 Intermediate Similarity NPC16394
0.7609 Intermediate Similarity NPC324063
0.7609 Intermediate Similarity NPC472986
0.7609 Intermediate Similarity NPC472869
0.7609 Intermediate Similarity NPC472985
0.7609 Intermediate Similarity NPC322159
0.7604 Intermediate Similarity NPC474529
0.7604 Intermediate Similarity NPC114159
0.7604 Intermediate Similarity NPC159365
0.7604 Intermediate Similarity NPC148964
0.7604 Intermediate Similarity NPC191412
0.7604 Intermediate Similarity NPC91010
0.7604 Intermediate Similarity NPC476415
0.7604 Intermediate Similarity NPC6818
0.7586 Intermediate Similarity NPC132542
0.7582 Intermediate Similarity NPC251170
0.7582 Intermediate Similarity NPC96095
0.7582 Intermediate Similarity NPC248758
0.7579 Intermediate Similarity NPC472978
0.7579 Intermediate Similarity NPC105189
0.7579 Intermediate Similarity NPC38754
0.7579 Intermediate Similarity NPC187722
0.7579 Intermediate Similarity NPC475708
0.7576 Intermediate Similarity NPC471727
0.7576 Intermediate Similarity NPC472972
0.7576 Intermediate Similarity NPC470074
0.7573 Intermediate Similarity NPC189075
0.7573 Intermediate Similarity NPC275539
0.7558 Intermediate Similarity NPC39362
0.7558 Intermediate Similarity NPC476844
0.7556 Intermediate Similarity NPC302661
0.7556 Intermediate Similarity NPC476292
0.7556 Intermediate Similarity NPC474605
0.7556 Intermediate Similarity NPC251779
0.7556 Intermediate Similarity NPC238991
0.7556 Intermediate Similarity NPC69101
0.7553 Intermediate Similarity NPC472973
0.7553 Intermediate Similarity NPC61543
0.7553 Intermediate Similarity NPC59263
0.7553 Intermediate Similarity NPC270768
0.7553 Intermediate Similarity NPC281524
0.7553 Intermediate Similarity NPC234346
0.7553 Intermediate Similarity NPC127689
0.7553 Intermediate Similarity NPC225585
0.7553 Intermediate Similarity NPC293048
0.7553 Intermediate Similarity NPC130520
0.7553 Intermediate Similarity NPC121798
0.7553 Intermediate Similarity NPC263393
0.7553 Intermediate Similarity NPC274330
0.7553 Intermediate Similarity NPC143232
0.7553 Intermediate Similarity NPC198664
0.7551 Intermediate Similarity NPC285513
0.7551 Intermediate Similarity NPC254496
0.7551 Intermediate Similarity NPC43686
0.7549 Intermediate Similarity NPC478208
0.7549 Intermediate Similarity NPC469607
0.7528 Intermediate Similarity NPC477057
0.7527 Intermediate Similarity NPC293564
0.7527 Intermediate Similarity NPC307426
0.7527 Intermediate Similarity NPC18064
0.7527 Intermediate Similarity NPC102683
0.7527 Intermediate Similarity NPC298904
0.7527 Intermediate Similarity NPC68160
0.7527 Intermediate Similarity NPC130577
0.7527 Intermediate Similarity NPC171203
0.7527 Intermediate Similarity NPC98442
0.7527 Intermediate Similarity NPC128644
0.7527 Intermediate Similarity NPC471728
0.7527 Intermediate Similarity NPC242468
0.7527 Intermediate Similarity NPC471792

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476427 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
0.7717 Intermediate Similarity NPD3573 Approved
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7245 Intermediate Similarity NPD7748 Approved
0.72 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD4695 Discontinued
0.7129 Intermediate Similarity NPD7638 Approved
0.7059 Intermediate Similarity NPD7640 Approved
0.7059 Intermediate Similarity NPD7639 Approved
0.7053 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7053 Intermediate Similarity NPD4623 Approved
0.7048 Intermediate Similarity NPD6675 Approved
0.7048 Intermediate Similarity NPD6402 Approved
0.7048 Intermediate Similarity NPD7128 Approved
0.7048 Intermediate Similarity NPD5739 Approved
0.7041 Intermediate Similarity NPD6411 Approved
0.7041 Intermediate Similarity NPD5284 Approved
0.7041 Intermediate Similarity NPD5281 Approved
0.703 Intermediate Similarity NPD4755 Approved
0.701 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD5328 Approved
0.6989 Remote Similarity NPD4223 Phase 3
0.6989 Remote Similarity NPD4221 Approved
0.6989 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5697 Approved
0.6981 Remote Similarity NPD5701 Approved
0.697 Remote Similarity NPD6399 Phase 3
0.697 Remote Similarity NPD5779 Approved
0.697 Remote Similarity NPD5778 Approved
0.6947 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5211 Phase 2
0.6916 Remote Similarity NPD6011 Approved
0.6916 Remote Similarity NPD7320 Approved
0.6916 Remote Similarity NPD6881 Approved
0.6916 Remote Similarity NPD6899 Approved
0.6916 Remote Similarity NPD6686 Approved
0.6909 Remote Similarity NPD4632 Approved
0.69 Remote Similarity NPD7901 Clinical (unspecified phase)
0.69 Remote Similarity NPD7900 Approved
0.6893 Remote Similarity NPD5286 Approved
0.6893 Remote Similarity NPD5285 Approved
0.6893 Remote Similarity NPD4700 Approved
0.6893 Remote Similarity NPD4696 Approved
0.6887 Remote Similarity NPD6008 Approved
0.6875 Remote Similarity NPD3618 Phase 1
0.6869 Remote Similarity NPD6079 Approved
0.6869 Remote Similarity NPD8034 Phase 2
0.6869 Remote Similarity NPD8035 Phase 2
0.6852 Remote Similarity NPD6373 Approved
0.6852 Remote Similarity NPD6372 Approved
0.6852 Remote Similarity NPD6014 Approved
0.6852 Remote Similarity NPD6012 Approved
0.6852 Remote Similarity NPD6013 Approved
0.6842 Remote Similarity NPD4197 Approved
0.6838 Remote Similarity NPD7507 Approved
0.6837 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6101 Approved
0.6827 Remote Similarity NPD5223 Approved
0.6809 Remote Similarity NPD3667 Approved
0.68 Remote Similarity NPD4202 Approved
0.6792 Remote Similarity NPD5141 Approved
0.6789 Remote Similarity NPD7102 Approved
0.6789 Remote Similarity NPD7290 Approved
0.6789 Remote Similarity NPD6883 Approved
0.6771 Remote Similarity NPD5329 Approved
0.6765 Remote Similarity NPD4697 Phase 3
0.6765 Remote Similarity NPD5221 Approved
0.6765 Remote Similarity NPD7614 Phase 1
0.6765 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5222 Approved
0.6762 Remote Similarity NPD5225 Approved
0.6762 Remote Similarity NPD5224 Approved
0.6762 Remote Similarity NPD4633 Approved
0.6762 Remote Similarity NPD5226 Approved
0.6759 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6727 Remote Similarity NPD8130 Phase 1
0.6727 Remote Similarity NPD6869 Approved
0.6727 Remote Similarity NPD6649 Approved
0.6727 Remote Similarity NPD6847 Approved
0.6727 Remote Similarity NPD6617 Approved
0.6727 Remote Similarity NPD6650 Approved
0.6727 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6009 Approved
0.6701 Remote Similarity NPD6098 Approved
0.6701 Remote Similarity NPD4693 Phase 3
0.6701 Remote Similarity NPD4138 Approved
0.6701 Remote Similarity NPD4688 Approved
0.6701 Remote Similarity NPD4690 Approved
0.6701 Remote Similarity NPD4689 Approved
0.6701 Remote Similarity NPD5205 Approved
0.67 Remote Similarity NPD5693 Phase 1
0.6699 Remote Similarity NPD6083 Phase 2
0.6699 Remote Similarity NPD6084 Phase 2
0.6699 Remote Similarity NPD5173 Approved
0.6698 Remote Similarity NPD5174 Approved
0.6698 Remote Similarity NPD4754 Approved
0.6698 Remote Similarity NPD5175 Approved
0.6697 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD3133 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3665 Phase 1
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6636 Remote Similarity NPD4634 Approved
0.6636 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6635 Remote Similarity NPD5696 Approved
0.6596 Remote Similarity NPD7525 Registered
0.6579 Remote Similarity NPD7115 Discovery
0.6574 Remote Similarity NPD4767 Approved
0.6574 Remote Similarity NPD4768 Approved
0.6569 Remote Similarity NPD6001 Approved
0.6566 Remote Similarity NPD6672 Approved
0.6566 Remote Similarity NPD5737 Approved
0.6566 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5208 Approved
0.6559 Remote Similarity NPD3617 Approved
0.6552 Remote Similarity NPD6319 Approved
0.6545 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6531 Remote Similarity NPD5690 Phase 2
0.6531 Remote Similarity NPD5280 Approved
0.6531 Remote Similarity NPD7334 Approved
0.6531 Remote Similarity NPD7521 Approved
0.6531 Remote Similarity NPD4694 Approved
0.6531 Remote Similarity NPD6684 Approved
0.6531 Remote Similarity NPD6409 Approved
0.6531 Remote Similarity NPD7146 Approved
0.6531 Remote Similarity NPD5330 Approved
0.6525 Remote Similarity NPD8328 Phase 3
0.6518 Remote Similarity NPD6053 Discontinued
0.6514 Remote Similarity NPD6412 Phase 2
0.6496 Remote Similarity NPD5983 Phase 2
0.6495 Remote Similarity NPD3668 Phase 3
0.6491 Remote Similarity NPD6274 Approved
0.6476 Remote Similarity NPD4225 Approved
0.6455 Remote Similarity NPD4730 Approved
0.6455 Remote Similarity NPD5128 Approved
0.6455 Remote Similarity NPD4729 Approved
0.6449 Remote Similarity NPD7632 Discontinued
0.6437 Remote Similarity NPD7331 Phase 2
0.6436 Remote Similarity NPD5692 Phase 3
0.6435 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6317 Approved
0.64 Remote Similarity NPD6903 Approved
0.6387 Remote Similarity NPD7604 Phase 2
0.6383 Remote Similarity NPD6115 Approved
0.6383 Remote Similarity NPD6118 Approved
0.6383 Remote Similarity NPD6697 Approved
0.6383 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6383 Remote Similarity NPD6114 Approved
0.6379 Remote Similarity NPD6335 Approved
0.6379 Remote Similarity NPD6313 Approved
0.6379 Remote Similarity NPD6314 Approved
0.6373 Remote Similarity NPD5694 Approved
0.6373 Remote Similarity NPD6050 Approved
0.6373 Remote Similarity NPD7637 Suspended
0.6364 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5279 Phase 3
0.6354 Remote Similarity NPD4139 Approved
0.6354 Remote Similarity NPD4692 Approved
0.6346 Remote Similarity NPD4629 Approved
0.6346 Remote Similarity NPD5210 Approved
0.6339 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6339 Remote Similarity NPD5249 Phase 3
0.6339 Remote Similarity NPD5169 Approved
0.6339 Remote Similarity NPD5247 Approved
0.6339 Remote Similarity NPD5135 Approved
0.6339 Remote Similarity NPD5251 Approved
0.6339 Remote Similarity NPD5250 Approved
0.6339 Remote Similarity NPD5248 Approved
0.6333 Remote Similarity NPD7492 Approved
0.6325 Remote Similarity NPD7101 Approved
0.6325 Remote Similarity NPD7100 Approved
0.6322 Remote Similarity NPD7341 Phase 2
0.6316 Remote Similarity NPD4195 Approved
0.6316 Remote Similarity NPD7645 Phase 2
0.6316 Remote Similarity NPD8133 Approved
0.6311 Remote Similarity NPD7736 Approved
0.6286 Remote Similarity NPD7732 Phase 3
0.6283 Remote Similarity NPD5217 Approved
0.6283 Remote Similarity NPD5215 Approved
0.6283 Remote Similarity NPD5216 Approved
0.6283 Remote Similarity NPD5127 Approved
0.6281 Remote Similarity NPD6336 Discontinued
0.6281 Remote Similarity NPD6616 Approved
0.6277 Remote Similarity NPD6116 Phase 1
0.6275 Remote Similarity NPD4096 Approved
0.6275 Remote Similarity NPD46 Approved
0.6275 Remote Similarity NPD5207 Approved
0.6275 Remote Similarity NPD6698 Approved
0.6271 Remote Similarity NPD6059 Approved
0.6271 Remote Similarity NPD6054 Approved
0.6264 Remote Similarity NPD4243 Approved

Structure

External Identifiers

PubChem CID   46230361
ChEMBL   CHEMBL602107
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  1.948
MLogP:  3.22
XLogP:  3.285
# Rotatable Bonds:  7
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

Download Data

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