Natural Product: NPC473350

Natural Product ID:  NPC473350
Common Name:   Lemnafricanol
IUPAC Name:  
Synonyms:   Lemnafricanol
Molecular Formula:   C17H26O5
Standard InCHIKey:  UKUYLOHEMULLIM-NWIRFNRYSA-N
Standard InCHI:  InChI=1S/C17H26O5/c1-8-5-6-12(19)17-13(20)7-11(22-10(3)18)14(16(8,17)4)9(2)15(17)21/h8-9,11-14,19-20H,5-7H2,1-4H3/t8-,9-,11-,12-,13-,14-,16-,17-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@H](O)[C@]23[C@@]([C@H]1[C@H](C)C2=O)(C)[C@@H](C)CC[C@@H]3O
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
NPO33496 lemnalia sp. Species Nephtheidae Eukaryota PMID[18247571]
NPO2677 Paralemnalia clavata Species Nephtheidae Eukaryota PMID[18247571]
NPO14420 Lemnalia africana Species Nephtheidae Eukaryota PMID[18247571]
NPO28973.1 Rhytisma fulvum Under-species NA NA PMID[18247571]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 320 nM 15387666

  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 NPC473350 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
0.8977 High Similarity NPC62407
0.8977 High Similarity NPC287354
0.8966 High Similarity NPC476189
0.8941 High Similarity NPC477614
0.8941 High Similarity NPC226491
0.8916 High Similarity NPC473336
0.8916 High Similarity NPC471044
0.8916 High Similarity NPC477434
0.8837 High Similarity NPC61688
0.8837 High Similarity NPC200580
0.8706 High Similarity NPC302111
0.8706 High Similarity NPC83242
0.8667 High Similarity NPC193785
0.8588 High Similarity NPC477205
0.8571 High Similarity NPC15091
0.8471 Intermediate Similarity NPC219535
0.8471 Intermediate Similarity NPC50438
0.8471 Intermediate Similarity NPC237938
0.8409 Intermediate Similarity NPC477440
0.8409 Intermediate Similarity NPC24705
0.8409 Intermediate Similarity NPC477443
0.8409 Intermediate Similarity NPC67653
0.8409 Intermediate Similarity NPC471459
0.8409 Intermediate Similarity NPC56962
0.8404 Intermediate Similarity NPC471254
0.8395 Intermediate Similarity NPC474020
0.8391 Intermediate Similarity NPC239938
0.8372 Intermediate Similarity NPC477445
0.8352 Intermediate Similarity NPC17336
0.8333 Intermediate Similarity NPC475743
0.8315 Intermediate Similarity NPC477442
0.8315 Intermediate Similarity NPC477444
0.8315 Intermediate Similarity NPC477433
0.8315 Intermediate Similarity NPC475211
0.8315 Intermediate Similarity NPC88337
0.8313 Intermediate Similarity NPC80891
0.8313 Intermediate Similarity NPC201276
0.8313 Intermediate Similarity NPC320144
0.8298 Intermediate Similarity NPC46848
0.8295 Intermediate Similarity NPC131104
0.8295 Intermediate Similarity NPC3032
0.8295 Intermediate Similarity NPC473319
0.8293 Intermediate Similarity NPC471151
0.8261 Intermediate Similarity NPC116683
0.8256 Intermediate Similarity NPC319909
0.8242 Intermediate Similarity NPC470424
0.8235 Intermediate Similarity NPC61107
0.8235 Intermediate Similarity NPC289486
0.8229 Intermediate Similarity NPC88469
0.8222 Intermediate Similarity NPC52756
0.8214 Intermediate Similarity NPC477851
0.8211 Intermediate Similarity NPC304832
0.8211 Intermediate Similarity NPC214946
0.8211 Intermediate Similarity NPC76866
0.8211 Intermediate Similarity NPC470172
0.8211 Intermediate Similarity NPC286519
0.8211 Intermediate Similarity NPC148628
0.8211 Intermediate Similarity NPC246736
0.8211 Intermediate Similarity NPC275990
0.8211 Intermediate Similarity NPC88203
0.8193 Intermediate Similarity NPC324700
0.8193 Intermediate Similarity NPC171426
0.8193 Intermediate Similarity NPC34046
0.8193 Intermediate Similarity NPC224802
0.8193 Intermediate Similarity NPC185465
0.8193 Intermediate Similarity NPC80089
0.8191 Intermediate Similarity NPC94906
0.8182 Intermediate Similarity NPC263802
0.8172 Intermediate Similarity NPC190080
0.8172 Intermediate Similarity NPC111187
0.8152 Intermediate Similarity NPC470232
0.8125 Intermediate Similarity NPC471253
0.8125 Intermediate Similarity NPC473406
0.8111 Intermediate Similarity NPC476296
0.8111 Intermediate Similarity NPC77756
0.8105 Intermediate Similarity NPC289148
0.8105 Intermediate Similarity NPC52899
0.8105 Intermediate Similarity NPC163963
0.809 Intermediate Similarity NPC471221
0.809 Intermediate Similarity NPC476435
0.8085 Intermediate Similarity NPC162459
0.8085 Intermediate Similarity NPC38296
0.8085 Intermediate Similarity NPC472028
0.8085 Intermediate Similarity NPC471038
0.8085 Intermediate Similarity NPC38471
0.8085 Intermediate Similarity NPC98837
0.8085 Intermediate Similarity NPC474793
0.8085 Intermediate Similarity NPC253995
0.8085 Intermediate Similarity NPC28864
0.8085 Intermediate Similarity NPC20479
0.8085 Intermediate Similarity NPC89099
0.8072 Intermediate Similarity NPC477918
0.8068 Intermediate Similarity NPC475729
0.8068 Intermediate Similarity NPC474215
0.8065 Intermediate Similarity NPC329910
0.8049 Intermediate Similarity NPC159789
0.8046 Intermediate Similarity NPC473299
0.8046 Intermediate Similarity NPC475689
0.8043 Intermediate Similarity NPC470385
0.8043 Intermediate Similarity NPC470386
0.8043 Intermediate Similarity NPC475118
0.8041 Intermediate Similarity NPC84928
0.8021 Intermediate Similarity NPC124544
0.8 Intermediate Similarity NPC287676
0.8 Intermediate Similarity NPC37047
0.8 Intermediate Similarity NPC180733
0.8 Intermediate Similarity NPC41971
0.8 Intermediate Similarity NPC293866
0.7979 Intermediate Similarity NPC10864
0.7979 Intermediate Similarity NPC471241
0.7978 Intermediate Similarity NPC470920
0.7976 Intermediate Similarity NPC475725
0.7959 Intermediate Similarity NPC37600
0.7959 Intermediate Similarity NPC295366
0.7959 Intermediate Similarity NPC138908
0.7959 Intermediate Similarity NPC200957
0.7957 Intermediate Similarity NPC263135
0.7957 Intermediate Similarity NPC288906
0.7957 Intermediate Similarity NPC470229
0.7952 Intermediate Similarity NPC472487
0.7952 Intermediate Similarity NPC471046
0.7952 Intermediate Similarity NPC472486
0.7952 Intermediate Similarity NPC477933
0.7952 Intermediate Similarity NPC4209
0.7952 Intermediate Similarity NPC477932
0.7938 Intermediate Similarity NPC96217
0.7938 Intermediate Similarity NPC87927
0.7938 Intermediate Similarity NPC139347
0.7938 Intermediate Similarity NPC216114
0.7931 Intermediate Similarity NPC472847
0.7931 Intermediate Similarity NPC227170
0.7927 Intermediate Similarity NPC55508
0.7927 Intermediate Similarity NPC477867
0.7917 Intermediate Similarity NPC259654
0.7917 Intermediate Similarity NPC121218
0.7917 Intermediate Similarity NPC295276
0.7917 Intermediate Similarity NPC253886
0.7917 Intermediate Similarity NPC148279
0.7917 Intermediate Similarity NPC75941
0.7917 Intermediate Similarity NPC298266
0.7917 Intermediate Similarity NPC471790
0.7917 Intermediate Similarity NPC236585
0.7907 Intermediate Similarity NPC58631
0.7907 Intermediate Similarity NPC254123
0.7895 Intermediate Similarity NPC16911
0.7895 Intermediate Similarity NPC78427
0.7895 Intermediate Similarity NPC476294
0.7889 Intermediate Similarity NPC90676
0.7889 Intermediate Similarity NPC236459
0.7879 Intermediate Similarity NPC201908
0.7879 Intermediate Similarity NPC166993
0.7879 Intermediate Similarity NPC176949
0.7872 Intermediate Similarity NPC29410
0.7872 Intermediate Similarity NPC13949
0.7872 Intermediate Similarity NPC163685
0.7872 Intermediate Similarity NPC470387
0.7872 Intermediate Similarity NPC200054
0.7865 Intermediate Similarity NPC120395
0.7865 Intermediate Similarity NPC476717
0.7865 Intermediate Similarity NPC80700
0.7865 Intermediate Similarity NPC472272
0.7865 Intermediate Similarity NPC477441
0.7865 Intermediate Similarity NPC248216
0.7857 Intermediate Similarity NPC317913
0.7857 Intermediate Similarity NPC474558
0.7857 Intermediate Similarity NPC202793
0.7857 Intermediate Similarity NPC327093
0.7857 Intermediate Similarity NPC307865
0.7857 Intermediate Similarity NPC143250
0.7857 Intermediate Similarity NPC207010
0.7857 Intermediate Similarity NPC98603
0.7857 Intermediate Similarity NPC169389
0.7849 Intermediate Similarity NPC47853
0.7849 Intermediate Similarity NPC477495
0.7841 Intermediate Similarity NPC9060
0.7841 Intermediate Similarity NPC181871
0.7841 Intermediate Similarity NPC291310
0.7835 Intermediate Similarity NPC170615
0.7831 Intermediate Similarity NPC125767
0.7831 Intermediate Similarity NPC21220
0.7831 Intermediate Similarity NPC212733
0.7831 Intermediate Similarity NPC477934
0.7826 Intermediate Similarity NPC211403
0.7826 Intermediate Similarity NPC250753
0.7826 Intermediate Similarity NPC198242
0.7826 Intermediate Similarity NPC474065
0.7826 Intermediate Similarity NPC216137
0.7826 Intermediate Similarity NPC475878
0.7816 Intermediate Similarity NPC13494
0.7816 Intermediate Similarity NPC121121
0.7816 Intermediate Similarity NPC30583
0.7812 Intermediate Similarity NPC470388
0.7812 Intermediate Similarity NPC267921
0.7805 Intermediate Similarity NPC474755
0.78 Intermediate Similarity NPC273155
0.78 Intermediate Similarity NPC231278
0.78 Intermediate Similarity NPC112895
0.78 Intermediate Similarity NPC218123
0.7791 Intermediate Similarity NPC474714
0.7791 Intermediate Similarity NPC261616

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473350 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
0.8193 Intermediate Similarity NPD6115 Approved
0.8193 Intermediate Similarity NPD6114 Approved
0.8193 Intermediate Similarity NPD6118 Approved
0.8193 Intermediate Similarity NPD6697 Approved
0.8049 Intermediate Similarity NPD3703 Phase 2
0.7952 Intermediate Similarity NPD6117 Approved
0.7857 Intermediate Similarity NPD6116 Phase 1
0.7711 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD1700 Approved
0.747 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD3702 Approved
0.7375 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8034 Phase 2
0.7083 Intermediate Similarity NPD8035 Phase 2
0.7073 Intermediate Similarity NPD4224 Phase 2
0.7059 Intermediate Similarity NPD5777 Approved
0.7059 Intermediate Similarity NPD6081 Approved
0.7024 Intermediate Similarity NPD3698 Phase 2
0.699 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4238 Approved
0.6966 Remote Similarity NPD4802 Phase 2
0.6941 Remote Similarity NPD4244 Approved
0.6941 Remote Similarity NPD4789 Approved
0.6941 Remote Similarity NPD4245 Approved
0.6923 Remote Similarity NPD6402 Approved
0.6923 Remote Similarity NPD7128 Approved
0.6923 Remote Similarity NPD5739 Approved
0.6923 Remote Similarity NPD6675 Approved
0.6905 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6905 Remote Similarity NPD5360 Phase 3
0.6887 Remote Similarity NPD6373 Approved
0.6887 Remote Similarity NPD6372 Approved
0.6875 Remote Similarity NPD6319 Approved
0.6857 Remote Similarity NPD5701 Approved
0.6857 Remote Similarity NPD5697 Approved
0.6837 Remote Similarity NPD6399 Phase 3
0.6792 Remote Similarity NPD7320 Approved
0.6792 Remote Similarity NPD6881 Approved
0.6792 Remote Similarity NPD6899 Approved
0.6778 Remote Similarity NPD3671 Phase 1
0.6762 Remote Similarity NPD6008 Approved
0.6759 Remote Similarity NPD6649 Approved
0.6759 Remote Similarity NPD6650 Approved
0.6729 Remote Similarity NPD6014 Approved
0.6729 Remote Similarity NPD6012 Approved
0.6729 Remote Similarity NPD6013 Approved
0.6701 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD4758 Discontinued
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD7638 Approved
0.6638 Remote Similarity NPD7492 Approved
0.6636 Remote Similarity NPD4632 Approved
0.6636 Remote Similarity NPD6011 Approved
0.6634 Remote Similarity NPD4697 Phase 3
0.6628 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6847 Approved
0.6606 Remote Similarity NPD6617 Approved
0.6606 Remote Similarity NPD6869 Approved
0.6606 Remote Similarity NPD8130 Phase 1
0.6602 Remote Similarity NPD7640 Approved
0.6602 Remote Similarity NPD7639 Approved
0.6602 Remote Similarity NPD8418 Phase 2
0.6581 Remote Similarity NPD6616 Approved
0.6579 Remote Similarity NPD6059 Approved
0.6579 Remote Similarity NPD6054 Approved
0.6569 Remote Similarity NPD4755 Approved
0.6566 Remote Similarity NPD7637 Suspended
0.6566 Remote Similarity NPD6079 Approved
0.6562 Remote Similarity NPD3618 Phase 1
0.6545 Remote Similarity NPD8297 Approved
0.6545 Remote Similarity NPD6882 Approved
0.6525 Remote Similarity NPD8293 Discontinued
0.6525 Remote Similarity NPD7078 Approved
0.6522 Remote Similarity NPD6015 Approved
0.6522 Remote Similarity NPD6921 Approved
0.6522 Remote Similarity NPD6016 Approved
0.6514 Remote Similarity NPD4634 Approved
0.6512 Remote Similarity NPD229 Approved
0.6476 Remote Similarity NPD7632 Discontinued
0.6471 Remote Similarity NPD7736 Approved
0.6471 Remote Similarity NPD5222 Approved
0.6471 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5221 Approved
0.6466 Remote Similarity NPD6370 Approved
0.6466 Remote Similarity NPD5988 Approved
0.646 Remote Similarity NPD6009 Approved
0.646 Remote Similarity NPD7115 Discovery
0.646 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6928 Phase 2
0.6442 Remote Similarity NPD5286 Approved
0.6442 Remote Similarity NPD4700 Approved
0.6442 Remote Similarity NPD4696 Approved
0.6442 Remote Similarity NPD5285 Approved
0.6422 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6417 Remote Similarity NPD7319 Approved
0.6413 Remote Similarity NPD5364 Discontinued
0.6408 Remote Similarity NPD6084 Phase 2
0.6408 Remote Similarity NPD5173 Approved
0.6408 Remote Similarity NPD6083 Phase 2
0.64 Remote Similarity NPD6411 Approved
0.6379 Remote Similarity NPD5983 Phase 2
0.6372 Remote Similarity NPD6274 Approved
0.6364 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6355 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6355 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4786 Approved
0.6346 Remote Similarity NPD4225 Approved
0.6346 Remote Similarity NPD5696 Approved
0.6341 Remote Similarity NPD3198 Approved
0.6337 Remote Similarity NPD5779 Approved
0.6337 Remote Similarity NPD5778 Approved
0.6321 Remote Similarity NPD5224 Approved
0.6321 Remote Similarity NPD5226 Approved
0.6321 Remote Similarity NPD4633 Approved
0.6321 Remote Similarity NPD5211 Phase 2
0.6321 Remote Similarity NPD5225 Approved
0.6316 Remote Similarity NPD3667 Approved
0.6275 Remote Similarity NPD7748 Approved
0.6271 Remote Similarity NPD7604 Phase 2
0.6271 Remote Similarity NPD8328 Phase 3
0.6262 Remote Similarity NPD5174 Approved
0.6262 Remote Similarity NPD5175 Approved
0.625 Remote Similarity NPD7902 Approved
0.6238 Remote Similarity NPD7515 Phase 2
0.6228 Remote Similarity NPD6868 Approved
0.6228 Remote Similarity NPD6940 Discontinued
0.6226 Remote Similarity NPD5223 Approved
0.6224 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5695 Phase 3
0.6211 Remote Similarity NPD1780 Approved
0.6211 Remote Similarity NPD1779 Approved
0.6207 Remote Similarity NPD7101 Approved
0.6207 Remote Similarity NPD7100 Approved
0.6204 Remote Similarity NPD5141 Approved
0.62 Remote Similarity NPD6101 Approved
0.62 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6195 Remote Similarity NPD8133 Approved
0.6176 Remote Similarity NPD4202 Approved
0.6174 Remote Similarity NPD6317 Approved
0.6167 Remote Similarity NPD6336 Discontinued
0.6167 Remote Similarity NPD7507 Approved
0.6163 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6147 Remote Similarity NPD4767 Approved
0.6147 Remote Similarity NPD4768 Approved
0.6146 Remote Similarity NPD6435 Approved
0.6125 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6121 Remote Similarity NPD6314 Approved
0.6121 Remote Similarity NPD6335 Approved
0.6121 Remote Similarity NPD6313 Approved
0.6111 Remote Similarity NPD4754 Approved
0.6102 Remote Similarity NPD6909 Approved
0.6102 Remote Similarity NPD6908 Approved
0.6102 Remote Similarity NPD6291 Clinical (unspecified phase)
0.61 Remote Similarity NPD6672 Approved
0.61 Remote Similarity NPD5737 Approved
0.6091 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6091 Remote Similarity NPD6412 Phase 2
0.6082 Remote Similarity NPD4788 Approved
0.6082 Remote Similarity NPD3669 Approved
0.6082 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6066 Remote Similarity NPD6033 Approved
0.6061 Remote Similarity NPD6684 Approved
0.6061 Remote Similarity NPD7146 Approved
0.6061 Remote Similarity NPD5330 Approved
0.6061 Remote Similarity NPD7521 Approved
0.6061 Remote Similarity NPD6409 Approved
0.6061 Remote Similarity NPD5786 Approved
0.6061 Remote Similarity NPD7334 Approved
0.6058 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7909 Approved
0.6042 Remote Similarity NPD5369 Approved
0.604 Remote Similarity NPD4753 Phase 2
0.6036 Remote Similarity NPD4729 Approved
0.6036 Remote Similarity NPD5128 Approved
0.6036 Remote Similarity NPD4730 Approved
0.602 Remote Similarity NPD3666 Approved
0.602 Remote Similarity NPD3133 Approved
0.602 Remote Similarity NPD3665 Phase 1
0.6019 Remote Similarity NPD8171 Discontinued
0.6 Remote Similarity NPD4787 Phase 1
0.6 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5979 Remote Similarity NPD7345 Approved
0.5962 Remote Similarity NPD7900 Approved
0.5962 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5941 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5941 Remote Similarity NPD6903 Approved
0.5938 Remote Similarity NPD5368 Approved
0.5929 Remote Similarity NPD5248 Approved
0.5929 Remote Similarity NPD5251 Approved
0.5929 Remote Similarity NPD5249 Phase 3

Structure

External Identifiers

PubChem CID   44448175
ChEMBL   CHEMBL402203
ZINC  

Physicochemical Properties

Molecular Weight:  310.18
ALogP:  -1.4409
MLogP:  2.78
XLogP:  1.101
# Rotatable Bonds:  8
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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