Natural Product: NPC478210

Natural Product ID:  NPC478210
Common Name:   2ß-hydroxynagilactone L
IUPAC Name:  
Synonyms:  
Molecular Formula:   C18H22O6
Standard InCHIKey:  SOZHAXONMCJITF-LTSHJXGFSA-N
Standard InCHI:  InChI=1S/C18H22O6/c1-4-11-8-5-12-14-17(2,16(22)24-12)7-10(19)15(21)18(14,3)9(8)6-13(20)23-11/h6,10,12,14-15,19,21H,4-5,7H2,1-3H3/t10?,12-,14+,15?,17+,18-/m1/s1
Canonical SMILES:  CCc1oc(=O)cc2c1C[C@H]1OC(=O)[C@@]3([C@H]1[C@]2(C)C(O)C(C3)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
NPO33703 Podocarpus nagi Species Podocarpaceae Eukaryota Seeds Aihua, Lincang, Yunnan Province, China 2103-OCT PMID[28719204]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 < 2.5 µM 28719204
NPT6521 Cell Line HEY Homo sapiens IC50 < 2.5 µM 28719204

  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 NPC478210 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
0.9804 High Similarity NPC247031
0.9804 High Similarity NPC132790
0.9804 High Similarity NPC100329
0.9804 High Similarity NPC97939
0.9706 High Similarity NPC478211
0.97 High Similarity NPC478208
0.9615 High Similarity NPC475966
0.9615 High Similarity NPC478212
0.9434 High Similarity NPC478216
0.9346 High Similarity NPC478204
0.9327 High Similarity NPC478209
0.9259 High Similarity NPC478205
0.9259 High Similarity NPC478206
0.9259 High Similarity NPC108581
0.9126 High Similarity NPC469607
0.8879 High Similarity NPC469655
0.8879 High Similarity NPC469656
0.8879 High Similarity NPC474846
0.8835 High Similarity NPC31058
0.8835 High Similarity NPC469606
0.8835 High Similarity NPC273005
0.8818 High Similarity NPC53396
0.8818 High Similarity NPC98249
0.8739 High Similarity NPC284707
0.8704 High Similarity NPC188738
0.8649 High Similarity NPC58662
0.8649 High Similarity NPC13713
0.8598 High Similarity NPC189075
0.8598 High Similarity NPC275539
0.8585 High Similarity NPC102352
0.8505 High Similarity NPC144854
0.8505 High Similarity NPC3316
0.8505 High Similarity NPC230541
0.8505 High Similarity NPC110496
0.8505 High Similarity NPC180744
0.8455 Intermediate Similarity NPC269530
0.8455 Intermediate Similarity NPC472002
0.844 Intermediate Similarity NPC210005
0.8426 Intermediate Similarity NPC277017
0.8426 Intermediate Similarity NPC154608
0.8426 Intermediate Similarity NPC192813
0.8411 Intermediate Similarity NPC34768
0.8378 Intermediate Similarity NPC25909
0.8376 Intermediate Similarity NPC477745
0.8349 Intermediate Similarity NPC141350
0.8333 Intermediate Similarity NPC302788
0.8333 Intermediate Similarity NPC475041
0.8319 Intermediate Similarity NPC473968
0.8319 Intermediate Similarity NPC469684
0.8305 Intermediate Similarity NPC476008
0.8305 Intermediate Similarity NPC478207
0.8302 Intermediate Similarity NPC235369
0.8302 Intermediate Similarity NPC295791
0.8288 Intermediate Similarity NPC194951
0.8288 Intermediate Similarity NPC12046
0.8286 Intermediate Similarity NPC47024
0.8269 Intermediate Similarity NPC474343
0.8241 Intermediate Similarity NPC181357
0.8224 Intermediate Similarity NPC254202
0.8214 Intermediate Similarity NPC469463
0.8214 Intermediate Similarity NPC469454
0.8214 Intermediate Similarity NPC469496
0.8214 Intermediate Similarity NPC471204
0.8214 Intermediate Similarity NPC157441
0.8208 Intermediate Similarity NPC471412
0.8198 Intermediate Similarity NPC304180
0.8198 Intermediate Similarity NPC179798
0.8182 Intermediate Similarity NPC472534
0.8182 Intermediate Similarity NPC469370
0.8182 Intermediate Similarity NPC143706
0.8174 Intermediate Similarity NPC475775
0.8174 Intermediate Similarity NPC476529
0.8173 Intermediate Similarity NPC256227
0.8165 Intermediate Similarity NPC187435
0.8165 Intermediate Similarity NPC67321
0.8165 Intermediate Similarity NPC179380
0.8158 Intermediate Similarity NPC473590
0.8158 Intermediate Similarity NPC284068
0.8155 Intermediate Similarity NPC250075
0.8155 Intermediate Similarity NPC57117
0.8136 Intermediate Similarity NPC24651
0.8131 Intermediate Similarity NPC162973
0.8131 Intermediate Similarity NPC165250
0.8131 Intermediate Similarity NPC476081
0.8125 Intermediate Similarity NPC476801
0.8125 Intermediate Similarity NPC222834
0.812 Intermediate Similarity NPC269642
0.812 Intermediate Similarity NPC312833
0.8113 Intermediate Similarity NPC471413
0.8108 Intermediate Similarity NPC253906
0.8108 Intermediate Similarity NPC286880
0.8108 Intermediate Similarity NPC5103
0.8103 Intermediate Similarity NPC478051
0.8103 Intermediate Similarity NPC107338
0.8103 Intermediate Similarity NPC109607
0.8091 Intermediate Similarity NPC50124
0.8073 Intermediate Similarity NPC478052
0.8073 Intermediate Similarity NPC127609
0.8073 Intermediate Similarity NPC266570
0.807 Intermediate Similarity NPC49492
0.807 Intermediate Similarity NPC196931
0.807 Intermediate Similarity NPC266728
0.8056 Intermediate Similarity NPC159533
0.8053 Intermediate Similarity NPC51978
0.8053 Intermediate Similarity NPC49451
0.8053 Intermediate Similarity NPC474271
0.8053 Intermediate Similarity NPC56448
0.8053 Intermediate Similarity NPC962
0.8051 Intermediate Similarity NPC91693
0.8051 Intermediate Similarity NPC67251
0.8051 Intermediate Similarity NPC265557
0.8051 Intermediate Similarity NPC105926
0.8051 Intermediate Similarity NPC18945
0.8037 Intermediate Similarity NPC472637
0.8037 Intermediate Similarity NPC303559
0.8036 Intermediate Similarity NPC201992
0.8019 Intermediate Similarity NPC216478
0.8019 Intermediate Similarity NPC23364
0.8018 Intermediate Similarity NPC474243
0.8018 Intermediate Similarity NPC153239
0.8018 Intermediate Similarity NPC27814
0.8017 Intermediate Similarity NPC42673
0.8017 Intermediate Similarity NPC230513
0.8 Intermediate Similarity NPC134430
0.8 Intermediate Similarity NPC21302
0.8 Intermediate Similarity NPC475809
0.8 Intermediate Similarity NPC134072
0.8 Intermediate Similarity NPC234993
0.8 Intermediate Similarity NPC11396
0.8 Intermediate Similarity NPC473153
0.8 Intermediate Similarity NPC133422
0.8 Intermediate Similarity NPC55296
0.7983 Intermediate Similarity NPC476729
0.7982 Intermediate Similarity NPC117712
0.7982 Intermediate Similarity NPC146731
0.7982 Intermediate Similarity NPC258532
0.7982 Intermediate Similarity NPC296950
0.7965 Intermediate Similarity NPC11252
0.7965 Intermediate Similarity NPC474516
0.7965 Intermediate Similarity NPC302146
0.7965 Intermediate Similarity NPC289312
0.7961 Intermediate Similarity NPC72845
0.7949 Intermediate Similarity NPC154491
0.7949 Intermediate Similarity NPC268530
0.7949 Intermediate Similarity NPC251226
0.7946 Intermediate Similarity NPC119550
0.7946 Intermediate Similarity NPC472666
0.7944 Intermediate Similarity NPC476767
0.7944 Intermediate Similarity NPC117685
0.7928 Intermediate Similarity NPC476802
0.7928 Intermediate Similarity NPC19412
0.7928 Intermediate Similarity NPC293850
0.7928 Intermediate Similarity NPC88701
0.7928 Intermediate Similarity NPC306265
0.7928 Intermediate Similarity NPC89171
0.7925 Intermediate Similarity NPC224356
0.7925 Intermediate Similarity NPC134454
0.7925 Intermediate Similarity NPC17326
0.7925 Intermediate Similarity NPC175351
0.7925 Intermediate Similarity NPC151681
0.7925 Intermediate Similarity NPC121402
0.7925 Intermediate Similarity NPC132753
0.7917 Intermediate Similarity NPC293112
0.7917 Intermediate Similarity NPC159499
0.7913 Intermediate Similarity NPC138372
0.7913 Intermediate Similarity NPC251236
0.7913 Intermediate Similarity NPC207217
0.7913 Intermediate Similarity NPC328374
0.7913 Intermediate Similarity NPC179626
0.7913 Intermediate Similarity NPC474734
0.7913 Intermediate Similarity NPC96312
0.7913 Intermediate Similarity NPC106228
0.7913 Intermediate Similarity NPC40632
0.7913 Intermediate Similarity NPC471816
0.7909 Intermediate Similarity NPC477125
0.7909 Intermediate Similarity NPC471206
0.7905 Intermediate Similarity NPC157686
0.7905 Intermediate Similarity NPC183012
0.7905 Intermediate Similarity NPC259042
0.7899 Intermediate Similarity NPC469789
0.7899 Intermediate Similarity NPC11895
0.7895 Intermediate Similarity NPC250109
0.789 Intermediate Similarity NPC99266
0.789 Intermediate Similarity NPC471208
0.789 Intermediate Similarity NPC120321
0.789 Intermediate Similarity NPC36688
0.789 Intermediate Similarity NPC474775
0.789 Intermediate Similarity NPC61442
0.789 Intermediate Similarity NPC264048
0.7885 Intermediate Similarity NPC110022
0.7885 Intermediate Similarity NPC139692
0.7881 Intermediate Similarity NPC4021
0.7881 Intermediate Similarity NPC470779
0.7881 Intermediate Similarity NPC159456
0.787 Intermediate Similarity NPC81530
0.7869 Intermediate Similarity NPC221414
0.7864 Intermediate Similarity NPC220454
0.7864 Intermediate Similarity NPC221111
0.7864 Intermediate Similarity NPC469595
0.7864 Intermediate Similarity NPC280149

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478210 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
0.7857 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.785 Intermediate Similarity NPD7638 Approved
0.785 Intermediate Similarity NPD4225 Approved
0.7778 Intermediate Similarity NPD7640 Approved
0.7778 Intermediate Similarity NPD7639 Approved
0.7632 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD6686 Approved
0.7456 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6008 Approved
0.7395 Intermediate Similarity NPD7115 Discovery
0.7368 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD6053 Discontinued
0.7339 Intermediate Similarity NPD7507 Approved
0.7321 Intermediate Similarity NPD7632 Discontinued
0.7288 Intermediate Similarity NPD4632 Approved
0.7165 Intermediate Similarity NPD7319 Approved
0.7154 Intermediate Similarity NPD7503 Approved
0.7154 Intermediate Similarity NPD8513 Phase 3
0.713 Intermediate Similarity NPD6675 Approved
0.713 Intermediate Similarity NPD7128 Approved
0.713 Intermediate Similarity NPD6402 Approved
0.713 Intermediate Similarity NPD5739 Approved
0.7117 Intermediate Similarity NPD7902 Approved
0.7094 Intermediate Similarity NPD6373 Approved
0.7094 Intermediate Similarity NPD6372 Approved
0.7087 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6319 Approved
0.7069 Intermediate Similarity NPD5701 Approved
0.7069 Intermediate Similarity NPD5697 Approved
0.7064 Intermediate Similarity NPD5779 Approved
0.7064 Intermediate Similarity NPD6399 Phase 3
0.7064 Intermediate Similarity NPD5778 Approved
0.7048 Intermediate Similarity NPD1694 Approved
0.7037 Intermediate Similarity NPD46 Approved
0.7037 Intermediate Similarity NPD6698 Approved
0.7016 Intermediate Similarity NPD8515 Approved
0.7016 Intermediate Similarity NPD8517 Approved
0.7016 Intermediate Similarity NPD8516 Approved
0.7009 Intermediate Similarity NPD6011 Approved
0.7009 Intermediate Similarity NPD7320 Approved
0.7009 Intermediate Similarity NPD6881 Approved
0.7009 Intermediate Similarity NPD6899 Approved
0.7 Intermediate Similarity NPD7748 Approved
0.6981 Remote Similarity NPD3618 Phase 1
0.6975 Remote Similarity NPD6649 Approved
0.6975 Remote Similarity NPD6650 Approved
0.6972 Remote Similarity NPD6411 Approved
0.6972 Remote Similarity NPD7515 Phase 2
0.6967 Remote Similarity NPD6009 Approved
0.6949 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6012 Approved
0.6949 Remote Similarity NPD6013 Approved
0.6949 Remote Similarity NPD6014 Approved
0.6944 Remote Similarity NPD5328 Approved
0.6937 Remote Similarity NPD1698 Clinical (unspecified phase)
0.693 Remote Similarity NPD5344 Discontinued
0.6923 Remote Similarity NPD7260 Phase 2
0.6917 Remote Similarity NPD8297 Approved
0.6905 Remote Similarity NPD8328 Phase 3
0.6891 Remote Similarity NPD6883 Approved
0.6891 Remote Similarity NPD7102 Approved
0.6891 Remote Similarity NPD7290 Approved
0.688 Remote Similarity NPD5983 Phase 2
0.6875 Remote Similarity NPD4697 Phase 3
0.687 Remote Similarity NPD6845 Suspended
0.6855 Remote Similarity NPD7516 Approved
0.685 Remote Similarity NPD7492 Approved
0.6847 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6847 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD6648 Approved
0.6833 Remote Similarity NPD6869 Approved
0.6833 Remote Similarity NPD8130 Phase 1
0.6833 Remote Similarity NPD6847 Approved
0.6833 Remote Similarity NPD6617 Approved
0.6833 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6079 Approved
0.6818 Remote Similarity NPD7983 Approved
0.6814 Remote Similarity NPD4755 Approved
0.68 Remote Similarity NPD6054 Approved
0.68 Remote Similarity NPD6059 Approved
0.6797 Remote Similarity NPD6616 Approved
0.6789 Remote Similarity NPD6101 Approved
0.6789 Remote Similarity NPD5764 Clinical (unspecified phase)
0.678 Remote Similarity NPD6412 Phase 2
0.6777 Remote Similarity NPD6882 Approved
0.6774 Remote Similarity NPD7327 Approved
0.6774 Remote Similarity NPD7328 Approved
0.6772 Remote Similarity NPD7604 Phase 2
0.675 Remote Similarity NPD4634 Approved
0.675 Remote Similarity NPD6371 Approved
0.6746 Remote Similarity NPD6016 Approved
0.6746 Remote Similarity NPD8033 Approved
0.6746 Remote Similarity NPD6015 Approved
0.6746 Remote Similarity NPD6921 Approved
0.6744 Remote Similarity NPD8293 Discontinued
0.6744 Remote Similarity NPD8074 Phase 3
0.6744 Remote Similarity NPD7078 Approved
0.6727 Remote Similarity NPD7838 Discovery
0.6726 Remote Similarity NPD5221 Approved
0.6726 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5222 Approved
0.6724 Remote Similarity NPD5211 Phase 2
0.6696 Remote Similarity NPD5286 Approved
0.6696 Remote Similarity NPD5282 Discontinued
0.6696 Remote Similarity NPD5285 Approved
0.6696 Remote Similarity NPD4700 Approved
0.6696 Remote Similarity NPD4696 Approved
0.6694 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6693 Remote Similarity NPD6370 Approved
0.6693 Remote Similarity NPD5988 Approved
0.6692 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD5173 Approved
0.6667 Remote Similarity NPD8035 Phase 2
0.6667 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD8294 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6639 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6638 Remote Similarity NPD5223 Approved
0.6636 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6614 Remote Similarity NPD8379 Approved
0.6614 Remote Similarity NPD8378 Approved
0.6614 Remote Similarity NPD8296 Approved
0.6614 Remote Similarity NPD8335 Approved
0.6614 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6614 Remote Similarity NPD8380 Approved
0.6613 Remote Similarity NPD6274 Approved
0.661 Remote Similarity NPD5141 Approved
0.6609 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4202 Approved
0.6606 Remote Similarity NPD3573 Approved
0.6604 Remote Similarity NPD3667 Approved
0.6585 Remote Similarity NPD8133 Approved
0.6581 Remote Similarity NPD5224 Approved
0.6581 Remote Similarity NPD5226 Approved
0.6581 Remote Similarity NPD4633 Approved
0.6581 Remote Similarity NPD5225 Approved
0.656 Remote Similarity NPD6317 Approved
0.6525 Remote Similarity NPD5174 Approved
0.6525 Remote Similarity NPD5175 Approved
0.6525 Remote Similarity NPD4754 Approved
0.6522 Remote Similarity NPD6084 Phase 2
0.6522 Remote Similarity NPD6083 Phase 2
0.6518 Remote Similarity NPD5281 Approved
0.6518 Remote Similarity NPD5284 Approved
0.6514 Remote Similarity NPD6409 Approved
0.6514 Remote Similarity NPD7146 Approved
0.6514 Remote Similarity NPD7521 Approved
0.6514 Remote Similarity NPD5330 Approved
0.6514 Remote Similarity NPD6684 Approved
0.6514 Remote Similarity NPD7334 Approved
0.6514 Remote Similarity NPD5279 Phase 3
0.6508 Remote Similarity NPD6335 Approved
0.6508 Remote Similarity NPD6313 Approved
0.6508 Remote Similarity NPD6314 Approved
0.6491 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6481 Remote Similarity NPD3133 Approved
0.6481 Remote Similarity NPD3665 Phase 1
0.6481 Remote Similarity NPD3666 Approved
0.6481 Remote Similarity NPD4786 Approved
0.648 Remote Similarity NPD6868 Approved
0.6466 Remote Similarity NPD5696 Approved
0.6457 Remote Similarity NPD7101 Approved
0.6457 Remote Similarity NPD7100 Approved
0.6455 Remote Similarity NPD7524 Approved
0.6439 Remote Similarity NPD6033 Approved
0.6429 Remote Similarity NPD5785 Approved
0.6422 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6422 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4768 Approved
0.6417 Remote Similarity NPD4767 Approved
0.6415 Remote Similarity NPD4695 Discontinued
0.6396 Remote Similarity NPD6672 Approved
0.6396 Remote Similarity NPD5737 Approved
0.6396 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6903 Approved
0.6385 Remote Similarity NPD6067 Discontinued
0.6372 Remote Similarity NPD5693 Phase 1
0.6364 Remote Similarity NPD4249 Approved
0.6364 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6908 Approved
0.6357 Remote Similarity NPD6909 Approved
0.6348 Remote Similarity NPD5695 Phase 3
0.633 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6311 Remote Similarity NPD4729 Approved
0.6311 Remote Similarity NPD5128 Approved
0.6311 Remote Similarity NPD4730 Approved
0.6306 Remote Similarity NPD4251 Approved
0.6306 Remote Similarity NPD4250 Approved
0.6283 Remote Similarity NPD5207 Approved
0.6261 Remote Similarity NPD6001 Approved
0.6239 Remote Similarity NPD7154 Phase 3
0.6239 Remote Similarity NPD6110 Phase 1
0.6239 Remote Similarity NPD6695 Phase 3
0.6226 Remote Similarity NPD6697 Approved
0.6226 Remote Similarity NPD6115 Approved
0.6226 Remote Similarity NPD6114 Approved
0.6226 Remote Similarity NPD6118 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  334.14
ALogP:  -0.9615
MLogP:  2.78
XLogP:  0.014
# Rotatable Bonds:  6
Polar Surface Area:  93.06
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  24

Download Data

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