Natural Product: NPC473995

Natural Product ID:  NPC473995
Common Name:   Chamuvarinin
IUPAC Name:   (2S)-4-[(13R)-13-[(2R,5R)-5-[5-(6-hexyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms:   Chamuvarinin
Molecular Formula:   C37H64O6
Standard InCHIKey:  IWOYCFRIFNMRSY-PWPZFVDCSA-N
Standard InCHI:  InChI=1S/C37H64O6/c1-3-4-5-15-19-30-20-17-22-33(41-30)34-25-26-36(43-34)35-24-23-32(42-35)31(38)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)40-37(29)39/h27-28,30-36,38H,3-26H2,1-2H3/t28-,30?,31+,32+,33?,34?,35+,36?/m0/s1
Canonical SMILES:  CCCCCCC1CCCC(O1)C1CCC(O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@@H](OC1=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
NPO17534 Uvaria chamae Species Annonaceae Eukaryota roots PMID[15217292]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 0.8 nM 25918997

  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 NPC473995 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
0.9753 High Similarity NPC39279
0.9753 High Similarity NPC77871
0.9753 High Similarity NPC25764
0.9753 High Similarity NPC319036
0.9753 High Similarity NPC473156
0.9753 High Similarity NPC292809
0.9753 High Similarity NPC9678
0.9753 High Similarity NPC475268
0.9753 High Similarity NPC39167
0.9753 High Similarity NPC473671
0.9753 High Similarity NPC235809
0.9753 High Similarity NPC470400
0.9753 High Similarity NPC202055
0.9634 High Similarity NPC241360
0.9634 High Similarity NPC473840
0.9634 High Similarity NPC219652
0.9634 High Similarity NPC282815
0.9634 High Similarity NPC293136
0.9634 High Similarity NPC132940
0.9634 High Similarity NPC25703
0.9518 High Similarity NPC470401
0.9518 High Similarity NPC258068
0.9518 High Similarity NPC20533
0.9518 High Similarity NPC473649
0.9518 High Similarity NPC159750
0.9518 High Similarity NPC476583
0.9518 High Similarity NPC154097
0.9405 High Similarity NPC234077
0.9405 High Similarity NPC320458
0.9405 High Similarity NPC61257
0.9405 High Similarity NPC151403
0.9405 High Similarity NPC320569
0.9405 High Similarity NPC287164
0.9405 High Similarity NPC39754
0.9405 High Similarity NPC261952
0.9405 High Similarity NPC171135
0.9405 High Similarity NPC81045
0.9405 High Similarity NPC172821
0.9405 High Similarity NPC242364
0.9405 High Similarity NPC473905
0.9405 High Similarity NPC169511
0.9405 High Similarity NPC191929
0.9405 High Similarity NPC274446
0.9405 High Similarity NPC100454
0.9405 High Similarity NPC133730
0.939 High Similarity NPC156804
0.9383 High Similarity NPC11332
0.9383 High Similarity NPC131002
0.9383 High Similarity NPC145914
0.9383 High Similarity NPC73310
0.9383 High Similarity NPC94875
0.9383 High Similarity NPC180363
0.9383 High Similarity NPC473780
0.9383 High Similarity NPC473712
0.9383 High Similarity NPC475159
0.9383 High Similarity NPC329829
0.9383 High Similarity NPC65930
0.9383 High Similarity NPC473529
0.9294 High Similarity NPC40066
0.9294 High Similarity NPC93794
0.9294 High Similarity NPC20621
0.9294 High Similarity NPC91067
0.9294 High Similarity NPC318963
0.9294 High Similarity NPC473504
0.9294 High Similarity NPC81778
0.9294 High Similarity NPC42598
0.9277 High Similarity NPC477018
0.9277 High Similarity NPC100921
0.9277 High Similarity NPC120398
0.9277 High Similarity NPC329838
0.9277 High Similarity NPC329615
0.9277 High Similarity NPC322529
0.9277 High Similarity NPC471567
0.9268 High Similarity NPC144415
0.9268 High Similarity NPC253801
0.9186 High Similarity NPC239517
0.9167 High Similarity NPC142117
0.9167 High Similarity NPC477010
0.9167 High Similarity NPC231096
0.9167 High Similarity NPC114694
0.9167 High Similarity NPC107717
0.9167 High Similarity NPC232555
0.9167 High Similarity NPC47937
0.9167 High Similarity NPC475581
0.9167 High Similarity NPC171174
0.9167 High Similarity NPC309211
0.9167 High Similarity NPC240695
0.9167 High Similarity NPC62118
0.9157 High Similarity NPC163093
0.9048 High Similarity NPC477014
0.9048 High Similarity NPC66346
0.9048 High Similarity NPC283085
0.9048 High Similarity NPC82795
0.9048 High Similarity NPC286338
0.9048 High Similarity NPC107986
0.9048 High Similarity NPC223871
0.9048 High Similarity NPC473478
0.9048 High Similarity NPC473669
0.9048 High Similarity NPC473651
0.9048 High Similarity NPC1083
0.9048 High Similarity NPC477013
0.9048 High Similarity NPC110710
0.9048 High Similarity NPC231009
0.9048 High Similarity NPC103284
0.9048 High Similarity NPC182383
0.9048 High Similarity NPC132496
0.8977 High Similarity NPC473520
0.8953 High Similarity NPC48338
0.8953 High Similarity NPC89001
0.8953 High Similarity NPC40376
0.8953 High Similarity NPC233551
0.8953 High Similarity NPC280621
0.8953 High Similarity NPC20339
0.8953 High Similarity NPC21208
0.8941 High Similarity NPC69082
0.8941 High Similarity NPC473687
0.8941 High Similarity NPC279267
0.8941 High Similarity NPC134807
0.8941 High Similarity NPC210218
0.8941 High Similarity NPC134865
0.8941 High Similarity NPC308412
0.8941 High Similarity NPC204686
0.8941 High Similarity NPC219498
0.8941 High Similarity NPC477015
0.8941 High Similarity NPC134885
0.8941 High Similarity NPC103523
0.8851 High Similarity NPC477017
0.8851 High Similarity NPC477011
0.8851 High Similarity NPC477016
0.8837 High Similarity NPC178215
0.8837 High Similarity NPC477012
0.875 High Similarity NPC473904
0.8721 High Similarity NPC112685
0.8636 High Similarity NPC130359
0.8636 High Similarity NPC139418
0.8636 High Similarity NPC280612
0.8636 High Similarity NPC14901
0.8556 High Similarity NPC475173
0.8556 High Similarity NPC473723
0.8556 High Similarity NPC473561
0.8556 High Similarity NPC473663
0.8444 Intermediate Similarity NPC473707
0.8352 Intermediate Similarity NPC11456
0.7957 Intermediate Similarity NPC81419
0.7957 Intermediate Similarity NPC179746
0.7935 Intermediate Similarity NPC474761
0.7935 Intermediate Similarity NPC476004
0.7927 Intermediate Similarity NPC84038
0.7882 Intermediate Similarity NPC475711
0.7865 Intermediate Similarity NPC288471
0.7849 Intermediate Similarity NPC208886
0.7849 Intermediate Similarity NPC12172
0.7849 Intermediate Similarity NPC30515
0.7831 Intermediate Similarity NPC474705
0.7826 Intermediate Similarity NPC295312
0.7778 Intermediate Similarity NPC21469
0.7742 Intermediate Similarity NPC51004
0.7742 Intermediate Similarity NPC473448
0.7742 Intermediate Similarity NPC473619
0.7732 Intermediate Similarity NPC187268
0.7701 Intermediate Similarity NPC470148
0.7701 Intermediate Similarity NPC470149
0.7692 Intermediate Similarity NPC164393
0.7677 Intermediate Similarity NPC86077
0.7667 Intermediate Similarity NPC9868
0.7667 Intermediate Similarity NPC243618
0.7667 Intermediate Similarity NPC474251
0.7667 Intermediate Similarity NPC70424
0.766 Intermediate Similarity NPC184463
0.766 Intermediate Similarity NPC473321
0.7634 Intermediate Similarity NPC473564
0.7634 Intermediate Similarity NPC307411
0.7634 Intermediate Similarity NPC474032
0.7614 Intermediate Similarity NPC47653
0.7614 Intermediate Similarity NPC470147
0.7614 Intermediate Similarity NPC133226
0.7609 Intermediate Similarity NPC160138
0.7609 Intermediate Similarity NPC248602
0.7604 Intermediate Similarity NPC36954
0.7586 Intermediate Similarity NPC248775
0.7582 Intermediate Similarity NPC137033
0.7579 Intermediate Similarity NPC475912
0.7579 Intermediate Similarity NPC320089
0.7579 Intermediate Similarity NPC476300
0.7579 Intermediate Similarity NPC273579
0.7579 Intermediate Similarity NPC295204
0.7579 Intermediate Similarity NPC288240
0.7579 Intermediate Similarity NPC162205
0.7561 Intermediate Similarity NPC218477
0.7556 Intermediate Similarity NPC475947
0.7556 Intermediate Similarity NPC11620
0.7553 Intermediate Similarity NPC158388
0.7553 Intermediate Similarity NPC118078
0.7553 Intermediate Similarity NPC478004
0.7553 Intermediate Similarity NPC478003
0.7551 Intermediate Similarity NPC473326
0.7527 Intermediate Similarity NPC227379
0.7527 Intermediate Similarity NPC177629
0.7527 Intermediate Similarity NPC153805
0.7527 Intermediate Similarity NPC474471

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473995 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
0.7935 Intermediate Similarity NPD46 Approved
0.7935 Intermediate Similarity NPD6698 Approved
0.7308 Intermediate Similarity NPD6686 Approved
0.7212 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7838 Discovery
0.703 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7983 Approved
0.6789 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6371 Approved
0.6667 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3197 Phase 1
0.6538 Remote Similarity NPD4225 Approved
0.6538 Remote Similarity NPD7638 Approved
0.6531 Remote Similarity NPD4250 Approved
0.6531 Remote Similarity NPD4251 Approved
0.6526 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4756 Discovery
0.65 Remote Similarity NPD5785 Approved
0.6476 Remote Similarity NPD7639 Approved
0.6476 Remote Similarity NPD7640 Approved
0.6458 Remote Similarity NPD5362 Discontinued
0.6458 Remote Similarity NPD7154 Phase 3
0.6429 Remote Similarity NPD4249 Approved
0.6415 Remote Similarity NPD5344 Discontinued
0.6408 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7839 Suspended
0.6333 Remote Similarity NPD7507 Approved
0.6327 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6327 Remote Similarity NPD5363 Approved
0.6306 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6304 Remote Similarity NPD8039 Approved
0.6289 Remote Similarity NPD6110 Phase 1
0.6283 Remote Similarity NPD6053 Discontinued
0.6271 Remote Similarity NPD8513 Phase 3
0.6271 Remote Similarity NPD8517 Approved
0.6271 Remote Similarity NPD8515 Approved
0.6271 Remote Similarity NPD8516 Approved
0.625 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6238 Remote Similarity NPD1695 Approved
0.6224 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5778 Approved
0.6214 Remote Similarity NPD5779 Approved
0.6179 Remote Similarity NPD7319 Approved
0.6167 Remote Similarity NPD7830 Approved
0.6167 Remote Similarity NPD7829 Approved
0.6162 Remote Similarity NPD1694 Approved
0.6154 Remote Similarity NPD5282 Discontinued
0.6146 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6412 Phase 2
0.6118 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6105 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4790 Discontinued
0.6068 Remote Similarity NPD7115 Discovery
0.605 Remote Similarity NPD8294 Approved
0.605 Remote Similarity NPD8377 Approved
0.6023 Remote Similarity NPD2685 Clinical (unspecified phase)
0.602 Remote Similarity NPD6435 Approved
0.602 Remote Similarity NPD5209 Approved
0.602 Remote Similarity NPD4270 Approved
0.602 Remote Similarity NPD4269 Approved
0.6019 Remote Similarity NPD6648 Approved
0.6017 Remote Similarity NPD7328 Approved
0.6017 Remote Similarity NPD7327 Approved
0.6016 Remote Similarity NPD8074 Phase 3
0.6 Remote Similarity NPD8296 Approved
0.6 Remote Similarity NPD8378 Approved
0.6 Remote Similarity NPD8379 Approved
0.6 Remote Similarity NPD8335 Approved
0.6 Remote Similarity NPD8033 Approved
0.6 Remote Similarity NPD8380 Approved
0.5979 Remote Similarity NPD4252 Approved
0.5977 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5976 Remote Similarity NPD3195 Phase 2
0.5976 Remote Similarity NPD3730 Approved
0.5976 Remote Similarity NPD4266 Approved
0.5976 Remote Similarity NPD3196 Approved
0.5976 Remote Similarity NPD3728 Approved
0.5976 Remote Similarity NPD3194 Approved
0.5969 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5966 Remote Similarity NPD7516 Approved
0.5965 Remote Similarity NPD5955 Clinical (unspecified phase)
0.596 Remote Similarity NPD5331 Approved
0.596 Remote Similarity NPD5332 Approved
0.5955 Remote Similarity NPD3704 Approved
0.5941 Remote Similarity NPD5786 Approved
0.5938 Remote Similarity NPD4268 Approved
0.5938 Remote Similarity NPD4271 Approved
0.5922 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6101 Approved
0.5918 Remote Similarity NPD5369 Approved
0.5909 Remote Similarity NPD7632 Discontinued
0.5902 Remote Similarity NPD7642 Approved
0.5882 Remote Similarity NPD6109 Phase 1
0.5882 Remote Similarity NPD7641 Discontinued
0.5868 Remote Similarity NPD8444 Approved
0.5854 Remote Similarity NPD3172 Approved
0.5849 Remote Similarity NPD7748 Approved
0.5816 Remote Similarity NPD5368 Approved
0.5816 Remote Similarity NPD4822 Approved
0.5816 Remote Similarity NPD4821 Approved
0.5816 Remote Similarity NPD4820 Approved
0.5816 Remote Similarity NPD4819 Approved
0.5812 Remote Similarity NPD4632 Approved
0.5812 Remote Similarity NPD8133 Approved
0.581 Remote Similarity NPD6411 Approved
0.581 Remote Similarity NPD7637 Suspended
0.5806 Remote Similarity NPD8273 Phase 1
0.5802 Remote Similarity NPD6927 Phase 3
0.5784 Remote Similarity NPD6422 Discontinued
0.5778 Remote Similarity NPD7331 Phase 2
0.5778 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5776 Remote Similarity NPD7116 Clinical (unspecified phase)
0.576 Remote Similarity NPD7078 Approved
0.5741 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5738 Remote Similarity NPD7503 Approved
0.5726 Remote Similarity NPD7492 Approved
0.5726 Remote Similarity NPD8297 Approved
0.5714 Remote Similarity NPD6647 Phase 2
0.5714 Remote Similarity NPD7736 Approved
0.5703 Remote Similarity NPD7260 Phase 2
0.5702 Remote Similarity NPD5954 Clinical (unspecified phase)
0.569 Remote Similarity NPD6421 Discontinued
0.5688 Remote Similarity NPD7902 Approved
0.5688 Remote Similarity NPD6084 Phase 2
0.5688 Remote Similarity NPD6083 Phase 2
0.568 Remote Similarity NPD8451 Approved
0.568 Remote Similarity NPD6616 Approved
0.5673 Remote Similarity NPD6903 Approved
0.5667 Remote Similarity NPD7505 Discontinued
0.5667 Remote Similarity NPD7500 Approved
0.566 Remote Similarity NPD4810 Clinical (unspecified phase)
0.566 Remote Similarity NPD7515 Phase 2
0.5659 Remote Similarity NPD6845 Suspended
0.5656 Remote Similarity NPD6319 Approved
0.5656 Remote Similarity NPD6054 Approved
0.5652 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5645 Remote Similarity NPD8328 Phase 3
0.5635 Remote Similarity NPD8448 Approved
0.5635 Remote Similarity NPD8293 Discontinued
0.5631 Remote Similarity NPD7334 Approved
0.5631 Remote Similarity NPD5330 Approved
0.5631 Remote Similarity NPD6409 Approved
0.5631 Remote Similarity NPD6684 Approved
0.5631 Remote Similarity NPD7521 Approved
0.5631 Remote Similarity NPD7146 Approved
0.5619 Remote Similarity NPD5370 Suspended
0.5614 Remote Similarity NPD4211 Phase 1
0.561 Remote Similarity NPD8267 Approved
0.561 Remote Similarity NPD8269 Approved
0.561 Remote Similarity NPD29 Approved
0.561 Remote Similarity NPD28 Approved
0.561 Remote Similarity NPD8266 Approved
0.561 Remote Similarity NPD8268 Approved
0.5607 Remote Similarity NPD6399 Phase 3
0.5603 Remote Similarity NPD8132 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11342455
ChEMBL   CHEMBL457676
ZINC  

Physicochemical Properties

Molecular Weight:  604.47
ALogP:  -7.6037
MLogP:  4.87
XLogP:  10.595
# Rotatable Bonds:  24
Polar Surface Area:  74.22
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  43

Download Data

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