Natural Product: NPC473039

Natural Product ID:  NPC473039
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H34O6
Standard InCHIKey:  OLACLXTZQVYOIP-LJANSZIASA-N
Standard InCHI:  InChI=1S/C27H34O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h16-17H,7-13H2,1-6H3/t16-,17-,24-,25+,26-,27-/m0/s1
Canonical SMILES:  O=C1CC[C@@](O1)(C)[C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota PMID[26222905]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1648 Individual Protein Oligo-1,6-glucosidase Saccharomyces cerevisiae S288c IC50 = 81800 nM 8277313

  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 NPC473039 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
0.9048 High Similarity NPC271784
0.9048 High Similarity NPC469561
0.8837 High Similarity NPC473038
0.8721 High Similarity NPC209882
0.8602 High Similarity NPC216904
0.8571 High Similarity NPC472226
0.8571 High Similarity NPC472225
0.8511 High Similarity NPC112753
0.8511 High Similarity NPC275439
0.8506 High Similarity NPC320801
0.8495 Intermediate Similarity NPC125622
0.8478 Intermediate Similarity NPC56525
0.8469 Intermediate Similarity NPC473037
0.8404 Intermediate Similarity NPC106557
0.8404 Intermediate Similarity NPC23680
0.8404 Intermediate Similarity NPC121339
0.8387 Intermediate Similarity NPC241156
0.8387 Intermediate Similarity NPC255809
0.8333 Intermediate Similarity NPC124211
0.8298 Intermediate Similarity NPC243525
0.8298 Intermediate Similarity NPC40765
0.8298 Intermediate Similarity NPC3772
0.8295 Intermediate Similarity NPC109512
0.8276 Intermediate Similarity NPC327969
0.8276 Intermediate Similarity NPC321289
0.8261 Intermediate Similarity NPC150383
0.8247 Intermediate Similarity NPC53222
0.8229 Intermediate Similarity NPC88198
0.8202 Intermediate Similarity NPC311702
0.8202 Intermediate Similarity NPC470223
0.8202 Intermediate Similarity NPC11711
0.8202 Intermediate Similarity NPC94531
0.8202 Intermediate Similarity NPC123319
0.8191 Intermediate Similarity NPC37646
0.8172 Intermediate Similarity NPC25750
0.8163 Intermediate Similarity NPC33973
0.8163 Intermediate Similarity NPC70967
0.809 Intermediate Similarity NPC100391
0.8085 Intermediate Similarity NPC184870
0.8081 Intermediate Similarity NPC216245
0.8081 Intermediate Similarity NPC470251
0.8081 Intermediate Similarity NPC135854
0.8081 Intermediate Similarity NPC2436
0.8068 Intermediate Similarity NPC240302
0.8043 Intermediate Similarity NPC305039
0.8041 Intermediate Similarity NPC157787
0.8041 Intermediate Similarity NPC51370
0.8039 Intermediate Similarity NPC272898
0.8039 Intermediate Similarity NPC473036
0.8021 Intermediate Similarity NPC292133
0.8021 Intermediate Similarity NPC226986
0.798 Intermediate Similarity NPC36321
0.7979 Intermediate Similarity NPC470254
0.7978 Intermediate Similarity NPC470015
0.7978 Intermediate Similarity NPC168188
0.7952 Intermediate Similarity NPC223187
0.7935 Intermediate Similarity NPC28227
0.7931 Intermediate Similarity NPC118987
0.7917 Intermediate Similarity NPC95565
0.7895 Intermediate Similarity NPC472223
0.7895 Intermediate Similarity NPC472224
0.7879 Intermediate Similarity NPC56498
0.7879 Intermediate Similarity NPC281702
0.7872 Intermediate Similarity NPC107690
0.7872 Intermediate Similarity NPC218301
0.7865 Intermediate Similarity NPC100297
0.7865 Intermediate Similarity NPC133391
0.7857 Intermediate Similarity NPC299971
0.7857 Intermediate Similarity NPC307954
0.7857 Intermediate Similarity NPC287833
0.7857 Intermediate Similarity NPC205899
0.7857 Intermediate Similarity NPC144660
0.7841 Intermediate Similarity NPC474956
0.7841 Intermediate Similarity NPC170038
0.7835 Intermediate Similarity NPC43747
0.7826 Intermediate Similarity NPC136948
0.7826 Intermediate Similarity NPC99909
0.7826 Intermediate Similarity NPC167877
0.7816 Intermediate Similarity NPC469996
0.7812 Intermediate Similarity NPC317586
0.7812 Intermediate Similarity NPC470016
0.7812 Intermediate Similarity NPC171395
0.7766 Intermediate Similarity NPC289213
0.7755 Intermediate Similarity NPC10364
0.7755 Intermediate Similarity NPC271387
0.7755 Intermediate Similarity NPC153792
0.7755 Intermediate Similarity NPC16021
0.7753 Intermediate Similarity NPC38350
0.7753 Intermediate Similarity NPC477372
0.7753 Intermediate Similarity NPC201912
0.7753 Intermediate Similarity NPC232625
0.7745 Intermediate Similarity NPC220974
0.7742 Intermediate Similarity NPC190718
0.7732 Intermediate Similarity NPC111684
0.7732 Intermediate Similarity NPC328371
0.7732 Intermediate Similarity NPC322063
0.7732 Intermediate Similarity NPC58052
0.7723 Intermediate Similarity NPC164835
0.7723 Intermediate Similarity NPC228669
0.7723 Intermediate Similarity NPC119493
0.7723 Intermediate Similarity NPC255309
0.7717 Intermediate Similarity NPC195640
0.7708 Intermediate Similarity NPC318332
0.7708 Intermediate Similarity NPC166906
0.7701 Intermediate Similarity NPC475932
0.7684 Intermediate Similarity NPC204341
0.7677 Intermediate Similarity NPC316964
0.7667 Intermediate Similarity NPC476458
0.7667 Intermediate Similarity NPC258153
0.7667 Intermediate Similarity NPC320514
0.7667 Intermediate Similarity NPC260956
0.766 Intermediate Similarity NPC469546
0.766 Intermediate Similarity NPC173042
0.766 Intermediate Similarity NPC262043
0.766 Intermediate Similarity NPC285982
0.7653 Intermediate Similarity NPC18319
0.7653 Intermediate Similarity NPC122294
0.7647 Intermediate Similarity NPC51452
0.7647 Intermediate Similarity NPC96377
0.7647 Intermediate Similarity NPC472935
0.764 Intermediate Similarity NPC26139
0.7629 Intermediate Similarity NPC174948
0.7629 Intermediate Similarity NPC173875
0.7629 Intermediate Similarity NPC473648
0.7629 Intermediate Similarity NPC469995
0.7629 Intermediate Similarity NPC318282
0.7624 Intermediate Similarity NPC470954
0.7624 Intermediate Similarity NPC236390
0.7624 Intermediate Similarity NPC251017
0.7619 Intermediate Similarity NPC115303
0.7609 Intermediate Similarity NPC323765
0.7609 Intermediate Similarity NPC29447
0.7609 Intermediate Similarity NPC142649
0.7604 Intermediate Similarity NPC79117
0.7596 Intermediate Similarity NPC77947
0.7596 Intermediate Similarity NPC286174
0.7582 Intermediate Similarity NPC83569
0.7582 Intermediate Similarity NPC477373
0.7582 Intermediate Similarity NPC69279
0.7579 Intermediate Similarity NPC478258
0.7579 Intermediate Similarity NPC478257
0.7579 Intermediate Similarity NPC20388
0.7576 Intermediate Similarity NPC176845
0.7556 Intermediate Similarity NPC147066
0.7551 Intermediate Similarity NPC456
0.7551 Intermediate Similarity NPC42042
0.7551 Intermediate Similarity NPC328162
0.7551 Intermediate Similarity NPC305483
0.7551 Intermediate Similarity NPC96859
0.7551 Intermediate Similarity NPC471775
0.7551 Intermediate Similarity NPC7124
0.7551 Intermediate Similarity NPC472941
0.7549 Intermediate Similarity NPC28656
0.7549 Intermediate Similarity NPC189616
0.7529 Intermediate Similarity NPC197701
0.7528 Intermediate Similarity NPC477371
0.7527 Intermediate Similarity NPC471042
0.7527 Intermediate Similarity NPC470345
0.7526 Intermediate Similarity NPC471720
0.7526 Intermediate Similarity NPC294266
0.7525 Intermediate Similarity NPC308726
0.7525 Intermediate Similarity NPC195290
0.7525 Intermediate Similarity NPC204450
0.7525 Intermediate Similarity NPC119601
0.7525 Intermediate Similarity NPC234892
0.7524 Intermediate Similarity NPC129689
0.7524 Intermediate Similarity NPC470496
0.75 Intermediate Similarity NPC297265
0.75 Intermediate Similarity NPC472300
0.75 Intermediate Similarity NPC295244
0.75 Intermediate Similarity NPC476274
0.75 Intermediate Similarity NPC120158
0.75 Intermediate Similarity NPC475193
0.7477 Intermediate Similarity NPC472929
0.7475 Intermediate Similarity NPC475894
0.7475 Intermediate Similarity NPC476253
0.7474 Intermediate Similarity NPC474889
0.7474 Intermediate Similarity NPC54689
0.7474 Intermediate Similarity NPC474570
0.7473 Intermediate Similarity NPC469325
0.7451 Intermediate Similarity NPC55872
0.7451 Intermediate Similarity NPC140723
0.7449 Intermediate Similarity NPC469599
0.7449 Intermediate Similarity NPC274417
0.7449 Intermediate Similarity NPC297199
0.7447 Intermediate Similarity NPC30421
0.7447 Intermediate Similarity NPC476409
0.7431 Intermediate Similarity NPC472934
0.7429 Intermediate Similarity NPC304495
0.7426 Intermediate Similarity NPC270155
0.7426 Intermediate Similarity NPC473514
0.7426 Intermediate Similarity NPC476223
0.7426 Intermediate Similarity NPC310981
0.7426 Intermediate Similarity NPC163372
0.7426 Intermediate Similarity NPC476240
0.7426 Intermediate Similarity NPC475867
0.7426 Intermediate Similarity NPC224720
0.7426 Intermediate Similarity NPC302537
0.7423 Intermediate Similarity NPC243866
0.7423 Intermediate Similarity NPC206810

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473039 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
0.8352 Intermediate Similarity NPD5207 Approved
0.8191 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD6050 Approved
0.8043 Intermediate Similarity NPD6904 Approved
0.8043 Intermediate Similarity NPD6080 Approved
0.8043 Intermediate Similarity NPD6673 Approved
0.7957 Intermediate Similarity NPD5692 Phase 3
0.7935 Intermediate Similarity NPD5737 Approved
0.7935 Intermediate Similarity NPD6672 Approved
0.7895 Intermediate Similarity NPD6001 Approved
0.7872 Intermediate Similarity NPD5694 Approved
0.7755 Intermediate Similarity NPD5696 Approved
0.7742 Intermediate Similarity NPD6903 Approved
0.7742 Intermediate Similarity NPD5208 Approved
0.7717 Intermediate Similarity NPD7334 Approved
0.7717 Intermediate Similarity NPD6098 Approved
0.7717 Intermediate Similarity NPD7521 Approved
0.7717 Intermediate Similarity NPD6409 Approved
0.7717 Intermediate Similarity NPD6684 Approved
0.7717 Intermediate Similarity NPD7146 Approved
0.7717 Intermediate Similarity NPD5330 Approved
0.7684 Intermediate Similarity NPD5693 Phase 1
0.7684 Intermediate Similarity NPD5284 Approved
0.7684 Intermediate Similarity NPD5281 Approved
0.7647 Intermediate Similarity NPD6008 Approved
0.7629 Intermediate Similarity NPD5695 Phase 3
0.7629 Intermediate Similarity NPD5654 Approved
0.7624 Intermediate Similarity NPD6052 Approved
0.7604 Intermediate Similarity NPD6399 Phase 3
0.7553 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD6084 Phase 2
0.7475 Intermediate Similarity NPD5959 Approved
0.7475 Intermediate Similarity NPD6083 Phase 2
0.7447 Intermediate Similarity NPD3573 Approved
0.7429 Intermediate Similarity NPD6372 Approved
0.7429 Intermediate Similarity NPD6373 Approved
0.7404 Intermediate Similarity NPD6614 Approved
0.7333 Intermediate Similarity NPD7320 Approved
0.7308 Intermediate Similarity NPD7128 Approved
0.7308 Intermediate Similarity NPD6675 Approved
0.7308 Intermediate Similarity NPD5739 Approved
0.7308 Intermediate Similarity NPD6402 Approved
0.729 Intermediate Similarity NPD6650 Approved
0.729 Intermediate Similarity NPD6649 Approved
0.7283 Intermediate Similarity NPD4223 Phase 3
0.7283 Intermediate Similarity NPD4221 Approved
0.7234 Intermediate Similarity NPD5329 Approved
0.7222 Intermediate Similarity NPD3617 Approved
0.72 Intermediate Similarity NPD7732 Phase 3
0.7174 Intermediate Similarity NPD4139 Approved
0.7174 Intermediate Similarity NPD4692 Approved
0.7172 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7900 Approved
0.717 Intermediate Similarity NPD6881 Approved
0.717 Intermediate Similarity NPD6899 Approved
0.7159 Intermediate Similarity NPD5733 Approved
0.7158 Intermediate Similarity NPD4694 Approved
0.7158 Intermediate Similarity NPD5690 Phase 2
0.7158 Intermediate Similarity NPD5280 Approved
0.7158 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4197 Approved
0.7113 Intermediate Similarity NPD5328 Approved
0.71 Intermediate Similarity NPD4629 Approved
0.71 Intermediate Similarity NPD5210 Approved
0.7075 Intermediate Similarity NPD5701 Approved
0.7075 Intermediate Similarity NPD5697 Approved
0.7037 Intermediate Similarity NPD6883 Approved
0.7037 Intermediate Similarity NPD7102 Approved
0.7037 Intermediate Similarity NPD7290 Approved
0.703 Intermediate Similarity NPD4697 Phase 3
0.703 Intermediate Similarity NPD7614 Phase 1
0.7011 Intermediate Similarity NPD4747 Approved
0.7009 Intermediate Similarity NPD6011 Approved
0.6979 Remote Similarity NPD4138 Approved
0.6979 Remote Similarity NPD4688 Approved
0.6979 Remote Similarity NPD5205 Approved
0.6979 Remote Similarity NPD4689 Approved
0.6979 Remote Similarity NPD4693 Phase 3
0.6979 Remote Similarity NPD4690 Approved
0.6972 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6972 Remote Similarity NPD8130 Phase 1
0.6972 Remote Similarity NPD6869 Approved
0.6972 Remote Similarity NPD6847 Approved
0.6972 Remote Similarity NPD6617 Approved
0.697 Remote Similarity NPD6079 Approved
0.6966 Remote Similarity NPD4687 Approved
0.6961 Remote Similarity NPD7902 Approved
0.6944 Remote Similarity NPD6012 Approved
0.6944 Remote Similarity NPD6013 Approved
0.6944 Remote Similarity NPD6014 Approved
0.6939 Remote Similarity NPD4753 Phase 2
0.6939 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6081 Approved
0.6932 Remote Similarity NPD5276 Approved
0.6909 Remote Similarity NPD6882 Approved
0.6909 Remote Similarity NPD8297 Approved
0.6897 Remote Similarity NPD4137 Phase 3
0.6875 Remote Similarity NPD1694 Approved
0.6832 Remote Similarity NPD7748 Approved
0.6818 Remote Similarity NPD4691 Approved
0.6804 Remote Similarity NPD5279 Phase 3
0.6804 Remote Similarity NPD3618 Phase 1
0.68 Remote Similarity NPD8034 Phase 2
0.68 Remote Similarity NPD8035 Phase 2
0.6796 Remote Similarity NPD4755 Approved
0.6771 Remote Similarity NPD3665 Phase 1
0.6771 Remote Similarity NPD3133 Approved
0.6771 Remote Similarity NPD4786 Approved
0.6771 Remote Similarity NPD3666 Approved
0.6737 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5133 Approved
0.6724 Remote Similarity NPD6291 Clinical (unspecified phase)
0.67 Remote Similarity NPD4096 Approved
0.6699 Remote Similarity NPD5221 Approved
0.6699 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5222 Approved
0.6698 Remote Similarity NPD5091 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6635 Remote Similarity NPD5173 Approved
0.6634 Remote Similarity NPD7515 Phase 2
0.6628 Remote Similarity NPD7341 Phase 2
0.6609 Remote Similarity NPD6335 Approved
0.6604 Remote Similarity NPD5223 Approved
0.66 Remote Similarity NPD6051 Approved
0.6598 Remote Similarity NPD3668 Phase 3
0.6596 Remote Similarity NPD4195 Approved
0.6593 Remote Similarity NPD4058 Approved
0.6579 Remote Similarity NPD6274 Approved
0.6579 Remote Similarity NPD6868 Approved
0.6569 Remote Similarity NPD4202 Approved
0.6562 Remote Similarity NPD3667 Approved
0.6556 Remote Similarity NPD5777 Approved
0.6555 Remote Similarity NPD7492 Approved
0.6552 Remote Similarity NPD7101 Approved
0.6552 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD4632 Approved
0.6542 Remote Similarity NPD4633 Approved
0.6542 Remote Similarity NPD5226 Approved
0.6542 Remote Similarity NPD5224 Approved
0.6542 Remote Similarity NPD5225 Approved
0.6542 Remote Similarity NPD5211 Phase 2
0.6526 Remote Similarity NPD4695 Discontinued
0.6522 Remote Similarity NPD7115 Discovery
0.6522 Remote Similarity NPD6317 Approved
0.6522 Remote Similarity NPD3702 Approved
0.6509 Remote Similarity NPD6404 Discontinued
0.65 Remote Similarity NPD6616 Approved
0.65 Remote Similarity NPD4518 Approved
0.6496 Remote Similarity NPD6059 Approved
0.6496 Remote Similarity NPD6054 Approved
0.6495 Remote Similarity NPD4788 Approved
0.6481 Remote Similarity NPD5175 Approved
0.6481 Remote Similarity NPD5174 Approved
0.6481 Remote Similarity NPD4754 Approved
0.6471 Remote Similarity NPD6411 Approved
0.6466 Remote Similarity NPD6314 Approved
0.6466 Remote Similarity NPD6313 Approved
0.6465 Remote Similarity NPD4623 Approved
0.6465 Remote Similarity NPD4519 Discontinued
0.646 Remote Similarity NPD6053 Discontinued
0.6455 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6446 Remote Similarity NPD8293 Discontinued
0.6446 Remote Similarity NPD7078 Approved
0.6441 Remote Similarity NPD6909 Approved
0.6441 Remote Similarity NPD6908 Approved
0.6422 Remote Similarity NPD5141 Approved
0.6415 Remote Similarity NPD7638 Approved
0.6404 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7736 Approved
0.6387 Remote Similarity NPD6370 Approved
0.6379 Remote Similarity NPD6009 Approved
0.6364 Remote Similarity NPD4224 Phase 2
0.6364 Remote Similarity NPD4767 Approved
0.6364 Remote Similarity NPD4768 Approved
0.6364 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6356 Remote Similarity NPD6319 Approved
0.6355 Remote Similarity NPD7639 Approved
0.6355 Remote Similarity NPD7640 Approved
0.6333 Remote Similarity NPD7604 Phase 2
0.632 Remote Similarity NPD6845 Suspended
0.6306 Remote Similarity NPD6412 Phase 2
0.6303 Remote Similarity NPD5983 Phase 2
0.6303 Remote Similarity NPD6016 Approved
0.6303 Remote Similarity NPD6015 Approved
0.6283 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6101 Approved
0.6275 Remote Similarity NPD5764 Clinical (unspecified phase)
0.625 Remote Similarity NPD5988 Approved
0.625 Remote Similarity NPD5128 Approved
0.625 Remote Similarity NPD4729 Approved
0.625 Remote Similarity NPD4730 Approved
0.6239 Remote Similarity NPD7632 Discontinued
0.623 Remote Similarity NPD6336 Discontinued
0.6224 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5360 Phase 3
0.6196 Remote Similarity NPD4243 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3601516
ZINC  

Physicochemical Properties

Molecular Weight:  454.24
ALogP:  1.1425
MLogP:  3.77
XLogP:  1.451
# Rotatable Bonds:  7
Polar Surface Area:  94.58
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  33

Download Data

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