Natural Product: NPC470577

Natural Product ID:  NPC470577
Common Name:   Udalactarane B
IUPAC Name:  
Synonyms:   Udalactarane B
Molecular Formula:   C30H40O5
Standard InCHIKey:  JVSGWCCMXPFMRE-IEGCPEISSA-N
Standard InCHI:  InChI=1S/C30H40O5/c1-17-20-13-26(4,9-19(20)10-27(5)6-7-30(17,27)33)16-34-24-29-15-28(29,23(32)35-24)11-18-8-25(2,3)12-21(18)22(29)14-31/h14,18-19,24,33H,6-13,15-16H2,1-5H3/t18-,19-,24?,26-,27-,28+,29+,30-/m0/s1
Canonical SMILES:  O=CC1=C2CC(C[C@H]2C[C@@]23[C@@]1(C2)C(OC[C@@]1(C)C[C@@H]2C(=C(C)[C@@]4([C@@](C2)(C)CC4)O)C1)OC3=O)(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
NPO33354 phlebia uda Species Meruliaceae Eukaryota PMID[22746380]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 = 42000 nM 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 NPC470577 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
0.8431 Intermediate Similarity NPC470576
0.7652 Intermediate Similarity NPC272898
0.7652 Intermediate Similarity NPC473036
0.7642 Intermediate Similarity NPC165904
0.7642 Intermediate Similarity NPC179517
0.7636 Intermediate Similarity NPC241221
0.7583 Intermediate Similarity NPC475834
0.7583 Intermediate Similarity NPC474179
0.7544 Intermediate Similarity NPC473037
0.75 Intermediate Similarity NPC475913
0.7459 Intermediate Similarity NPC473250
0.7455 Intermediate Similarity NPC121339
0.7411 Intermediate Similarity NPC146822
0.7398 Intermediate Similarity NPC473231
0.7364 Intermediate Similarity NPC3772
0.735 Intermediate Similarity NPC235014
0.7345 Intermediate Similarity NPC56498
0.7345 Intermediate Similarity NPC475320
0.7339 Intermediate Similarity NPC184870
0.7339 Intermediate Similarity NPC474554
0.7333 Intermediate Similarity NPC244174
0.7328 Intermediate Similarity NPC325054
0.7321 Intermediate Similarity NPC205899
0.7321 Intermediate Similarity NPC307954
0.7311 Intermediate Similarity NPC157441
0.7304 Intermediate Similarity NPC127790
0.7297 Intermediate Similarity NPC18319
0.7297 Intermediate Similarity NPC106557
0.7281 Intermediate Similarity NPC176883
0.7273 Intermediate Similarity NPC37646
0.7273 Intermediate Similarity NPC23046
0.7273 Intermediate Similarity NPC473369
0.7265 Intermediate Similarity NPC77947
0.7265 Intermediate Similarity NPC286174
0.7248 Intermediate Similarity NPC472225
0.7248 Intermediate Similarity NPC472226
0.7232 Intermediate Similarity NPC10364
0.7227 Intermediate Similarity NPC12046
0.7227 Intermediate Similarity NPC194951
0.7222 Intermediate Similarity NPC477147
0.7222 Intermediate Similarity NPC477149
0.7217 Intermediate Similarity NPC28656
0.7207 Intermediate Similarity NPC240673
0.7207 Intermediate Similarity NPC40765
0.7207 Intermediate Similarity NPC7124
0.7207 Intermediate Similarity NPC328371
0.7207 Intermediate Similarity NPC17578
0.7207 Intermediate Similarity NPC243525
0.7203 Intermediate Similarity NPC129689
0.7193 Intermediate Similarity NPC134077
0.7193 Intermediate Similarity NPC308726
0.7193 Intermediate Similarity NPC281702
0.7193 Intermediate Similarity NPC119601
0.7188 Intermediate Similarity NPC473593
0.7179 Intermediate Similarity NPC469844
0.7177 Intermediate Similarity NPC470418
0.7177 Intermediate Similarity NPC202051
0.7168 Intermediate Similarity NPC144660
0.7168 Intermediate Similarity NPC299971
0.7165 Intermediate Similarity NPC42399
0.7156 Intermediate Similarity NPC150383
0.7156 Intermediate Similarity NPC474631
0.7156 Intermediate Similarity NPC65513
0.7155 Intermediate Similarity NPC153095
0.7154 Intermediate Similarity NPC161065
0.7154 Intermediate Similarity NPC477071
0.7143 Intermediate Similarity NPC122294
0.7143 Intermediate Similarity NPC115303
0.713 Intermediate Similarity NPC214387
0.713 Intermediate Similarity NPC476237
0.713 Intermediate Similarity NPC251017
0.713 Intermediate Similarity NPC471208
0.713 Intermediate Similarity NPC236390
0.713 Intermediate Similarity NPC55872
0.712 Intermediate Similarity NPC470419
0.7119 Intermediate Similarity NPC31522
0.7119 Intermediate Similarity NPC477070
0.7119 Intermediate Similarity NPC477069
0.7119 Intermediate Similarity NPC112457
0.7117 Intermediate Similarity NPC469995
0.7117 Intermediate Similarity NPC174948
0.7117 Intermediate Similarity NPC318282
0.7117 Intermediate Similarity NPC173875
0.7107 Intermediate Similarity NPC220293
0.7107 Intermediate Similarity NPC474181
0.7105 Intermediate Similarity NPC302537
0.7105 Intermediate Similarity NPC163372
0.7105 Intermediate Similarity NPC63249
0.7105 Intermediate Similarity NPC473384
0.7103 Intermediate Similarity NPC265580
0.7097 Intermediate Similarity NPC241192
0.7091 Intermediate Similarity NPC166346
0.7091 Intermediate Similarity NPC470254
0.7091 Intermediate Similarity NPC471571
0.7087 Intermediate Similarity NPC63186
0.7083 Intermediate Similarity NPC285956
0.708 Intermediate Similarity NPC16021
0.7073 Intermediate Similarity NPC291564
0.7069 Intermediate Similarity NPC472227
0.7069 Intermediate Similarity NPC146731
0.7069 Intermediate Similarity NPC472228
0.7069 Intermediate Similarity NPC119493
0.7059 Intermediate Similarity NPC101450
0.7059 Intermediate Similarity NPC470496
0.7054 Intermediate Similarity NPC104382
0.7054 Intermediate Similarity NPC470801
0.7049 Intermediate Similarity NPC49492
0.7049 Intermediate Similarity NPC302471
0.7049 Intermediate Similarity NPC266728
0.7043 Intermediate Similarity NPC58329
0.7043 Intermediate Similarity NPC136289
0.7043 Intermediate Similarity NPC223834
0.7043 Intermediate Similarity NPC195290
0.7043 Intermediate Similarity NPC204450
0.704 Intermediate Similarity NPC129434
0.7034 Intermediate Similarity NPC94942
0.7034 Intermediate Similarity NPC473288
0.7034 Intermediate Similarity NPC300614
0.7034 Intermediate Similarity NPC90946
0.7027 Intermediate Similarity NPC471720
0.7027 Intermediate Similarity NPC474555
0.7027 Intermediate Similarity NPC96541
0.7025 Intermediate Similarity NPC9848
0.7025 Intermediate Similarity NPC312017
0.7025 Intermediate Similarity NPC471627
0.7025 Intermediate Similarity NPC471173
0.7025 Intermediate Similarity NPC56448
0.7025 Intermediate Similarity NPC477091
0.7023 Intermediate Similarity NPC88668
0.7018 Intermediate Similarity NPC470906
0.7018 Intermediate Similarity NPC476274
0.7018 Intermediate Similarity NPC287833
0.7018 Intermediate Similarity NPC51370
0.7018 Intermediate Similarity NPC476303
0.7009 Intermediate Similarity NPC470309
0.7009 Intermediate Similarity NPC252296
0.7009 Intermediate Similarity NPC474062
0.7009 Intermediate Similarity NPC252234
0.7009 Intermediate Similarity NPC51452
0.7009 Intermediate Similarity NPC323834
0.7009 Intermediate Similarity NPC472935
0.7 Intermediate Similarity NPC107690
0.7 Intermediate Similarity NPC476187
0.7 Intermediate Similarity NPC470113
0.7 Intermediate Similarity NPC477073
0.7 Intermediate Similarity NPC475937
0.7 Intermediate Similarity NPC141831
0.7 Intermediate Similarity NPC158523
0.6992 Remote Similarity NPC13713
0.6991 Remote Similarity NPC257726
0.6991 Remote Similarity NPC320306
0.6991 Remote Similarity NPC204054
0.6984 Remote Similarity NPC27335
0.6983 Remote Similarity NPC471365
0.6983 Remote Similarity NPC471364
0.6983 Remote Similarity NPC120009
0.6983 Remote Similarity NPC132395
0.6983 Remote Similarity NPC36688
0.6981 Remote Similarity NPC71626
0.6977 Remote Similarity NPC470850
0.6977 Remote Similarity NPC473620
0.6977 Remote Similarity NPC473888
0.6972 Remote Similarity NPC155479
0.6972 Remote Similarity NPC473039
0.697 Remote Similarity NPC478072
0.6967 Remote Similarity NPC116024
0.6961 Remote Similarity NPC137547
0.696 Remote Similarity NPC17938
0.696 Remote Similarity NPC109973
0.6957 Remote Similarity NPC476240
0.6957 Remote Similarity NPC476223
0.6957 Remote Similarity NPC224720
0.6957 Remote Similarity NPC81530
0.6957 Remote Similarity NPC471075
0.6953 Remote Similarity NPC469750
0.6953 Remote Similarity NPC250556
0.6953 Remote Similarity NPC222307
0.6949 Remote Similarity NPC184512
0.6949 Remote Similarity NPC293512
0.6949 Remote Similarity NPC59530
0.6944 Remote Similarity NPC167877
0.6942 Remote Similarity NPC126691
0.6942 Remote Similarity NPC269530
0.6942 Remote Similarity NPC236217
0.6942 Remote Similarity NPC222834
0.6937 Remote Similarity NPC267266
0.6937 Remote Similarity NPC277721
0.6937 Remote Similarity NPC476416
0.6935 Remote Similarity NPC471249
0.6935 Remote Similarity NPC45475
0.6935 Remote Similarity NPC234522
0.693 Remote Similarity NPC23364
0.693 Remote Similarity NPC473154
0.6929 Remote Similarity NPC471392
0.6923 Remote Similarity NPC296950
0.6923 Remote Similarity NPC470851
0.6923 Remote Similarity NPC175186
0.6923 Remote Similarity NPC96268
0.6923 Remote Similarity NPC91
0.6923 Remote Similarity NPC223741

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470577 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
0.6953 Remote Similarity NPD7507 Approved
0.6864 Remote Similarity NPD6008 Approved
0.6814 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6794 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6053 Discontinued
0.6641 Remote Similarity NPD8293 Discontinued
0.6641 Remote Similarity NPD7078 Approved
0.6637 Remote Similarity NPD6399 Phase 3
0.6612 Remote Similarity NPD7320 Approved
0.6612 Remote Similarity NPD6686 Approved
0.6591 Remote Similarity NPD7736 Approved
0.6589 Remote Similarity NPD6370 Approved
0.6557 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7122 Discontinued
0.6532 Remote Similarity NPD6882 Approved
0.6529 Remote Similarity NPD6412 Phase 2
0.6522 Remote Similarity NPD5695 Phase 3
0.6504 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6496 Remote Similarity NPD5696 Approved
0.6489 Remote Similarity NPD7492 Approved
0.6457 Remote Similarity NPD7115 Discovery
0.6446 Remote Similarity NPD6675 Approved
0.6446 Remote Similarity NPD6402 Approved
0.6446 Remote Similarity NPD7128 Approved
0.6446 Remote Similarity NPD5739 Approved
0.6441 Remote Similarity NPD7640 Approved
0.6441 Remote Similarity NPD7639 Approved
0.6439 Remote Similarity NPD6616 Approved
0.6435 Remote Similarity NPD6001 Approved
0.6434 Remote Similarity NPD6059 Approved
0.6434 Remote Similarity NPD6054 Approved
0.6423 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6423 Remote Similarity NPD6372 Approved
0.6423 Remote Similarity NPD6373 Approved
0.641 Remote Similarity NPD6084 Phase 2
0.641 Remote Similarity NPD6083 Phase 2
0.6404 Remote Similarity NPD5284 Approved
0.6404 Remote Similarity NPD5281 Approved
0.6356 Remote Similarity NPD7638 Approved
0.6341 Remote Similarity NPD6899 Approved
0.6341 Remote Similarity NPD6881 Approved
0.6333 Remote Similarity NPD7632 Discontinued
0.6328 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6328 Remote Similarity NPD6009 Approved
0.632 Remote Similarity NPD6649 Approved
0.632 Remote Similarity NPD6650 Approved
0.6316 Remote Similarity NPD5207 Approved
0.6283 Remote Similarity NPD6672 Approved
0.6283 Remote Similarity NPD6903 Approved
0.6283 Remote Similarity NPD5737 Approved
0.6279 Remote Similarity NPD7328 Approved
0.6279 Remote Similarity NPD7327 Approved
0.6277 Remote Similarity NPD6845 Suspended
0.6271 Remote Similarity NPD7902 Approved
0.626 Remote Similarity NPD8513 Phase 3
0.626 Remote Similarity NPD8033 Approved
0.626 Remote Similarity NPD8516 Approved
0.626 Remote Similarity NPD8515 Approved
0.626 Remote Similarity NPD6016 Approved
0.626 Remote Similarity NPD6015 Approved
0.626 Remote Similarity NPD8517 Approved
0.626 Remote Similarity NPD5697 Approved
0.626 Remote Similarity NPD5701 Approved
0.626 Remote Similarity NPD5954 Clinical (unspecified phase)
0.624 Remote Similarity NPD7102 Approved
0.624 Remote Similarity NPD7290 Approved
0.624 Remote Similarity NPD6883 Approved
0.624 Remote Similarity NPD6371 Approved
0.6231 Remote Similarity NPD7516 Approved
0.6212 Remote Similarity NPD5988 Approved
0.621 Remote Similarity NPD6011 Approved
0.6207 Remote Similarity NPD5779 Approved
0.6207 Remote Similarity NPD5778 Approved
0.619 Remote Similarity NPD6617 Approved
0.619 Remote Similarity NPD8130 Phase 1
0.619 Remote Similarity NPD6869 Approved
0.619 Remote Similarity NPD6401 Clinical (unspecified phase)
0.619 Remote Similarity NPD6847 Approved
0.6186 Remote Similarity NPD4697 Phase 3
0.6183 Remote Similarity NPD8377 Approved
0.6183 Remote Similarity NPD8294 Approved
0.6165 Remote Similarity NPD7604 Phase 2
0.6165 Remote Similarity NPD8328 Phase 3
0.6165 Remote Similarity NPD6067 Discontinued
0.6161 Remote Similarity NPD1694 Approved
0.616 Remote Similarity NPD6014 Approved
0.616 Remote Similarity NPD6013 Approved
0.616 Remote Similarity NPD6012 Approved
0.6154 Remote Similarity NPD7748 Approved
0.6142 Remote Similarity NPD8297 Approved
0.6136 Remote Similarity NPD8296 Approved
0.6136 Remote Similarity NPD7503 Approved
0.6136 Remote Similarity NPD8378 Approved
0.6136 Remote Similarity NPD8380 Approved
0.6136 Remote Similarity NPD8335 Approved
0.6136 Remote Similarity NPD8379 Approved
0.6121 Remote Similarity NPD8035 Phase 2
0.6121 Remote Similarity NPD6050 Approved
0.6121 Remote Similarity NPD8034 Phase 2
0.6106 Remote Similarity NPD7146 Approved
0.6106 Remote Similarity NPD7521 Approved
0.6106 Remote Similarity NPD6409 Approved
0.6106 Remote Similarity NPD6684 Approved
0.6106 Remote Similarity NPD7334 Approved
0.6106 Remote Similarity NPD5330 Approved
0.6103 Remote Similarity NPD6033 Approved
0.6094 Remote Similarity NPD4632 Approved
0.6094 Remote Similarity NPD8133 Approved
0.6087 Remote Similarity NPD5328 Approved
0.6087 Remote Similarity NPD6904 Approved
0.6087 Remote Similarity NPD7260 Phase 2
0.6087 Remote Similarity NPD6673 Approved
0.6087 Remote Similarity NPD6080 Approved
0.6083 Remote Similarity NPD4225 Approved
0.6071 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6066 Remote Similarity NPD5211 Phase 2
0.6036 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6034 Remote Similarity NPD5692 Phase 3
0.6017 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6017 Remote Similarity NPD5282 Discontinued
0.6017 Remote Similarity NPD7900 Approved
0.6015 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6 Remote Similarity NPD5959 Approved
0.6 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6 Remote Similarity NPD4755 Approved
0.5983 Remote Similarity NPD5694 Approved
0.5983 Remote Similarity NPD6079 Approved
0.5983 Remote Similarity NPD6411 Approved
0.5983 Remote Similarity NPD5693 Phase 1
0.5983 Remote Similarity NPD7515 Phase 2
0.5982 Remote Similarity NPD5362 Discontinued
0.5968 Remote Similarity NPD5141 Approved
0.5966 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5966 Remote Similarity NPD5210 Approved
0.5966 Remote Similarity NPD4629 Approved
0.5965 Remote Similarity NPD3618 Phase 1
0.5965 Remote Similarity NPD3574 Clinical (unspecified phase)
0.595 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5948 Remote Similarity NPD4753 Phase 2
0.594 Remote Similarity NPD6319 Approved
0.5938 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5932 Remote Similarity NPD4202 Approved
0.5929 Remote Similarity NPD4786 Approved
0.5909 Remote Similarity NPD6335 Approved
0.5902 Remote Similarity NPD4696 Approved
0.5902 Remote Similarity NPD5285 Approved
0.5902 Remote Similarity NPD6404 Discontinued
0.5902 Remote Similarity NPD5286 Approved
0.5902 Remote Similarity NPD4700 Approved
0.5897 Remote Similarity NPD5785 Approved
0.5897 Remote Similarity NPD6698 Approved
0.5897 Remote Similarity NPD46 Approved
0.5896 Remote Similarity NPD5983 Phase 2
0.5893 Remote Similarity NPD4221 Approved
0.5893 Remote Similarity NPD4223 Phase 3
0.5887 Remote Similarity NPD6052 Approved
0.5878 Remote Similarity NPD6274 Approved
0.5877 Remote Similarity NPD5329 Approved
0.5877 Remote Similarity NPD1696 Phase 3
0.5873 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5865 Remote Similarity NPD7101 Approved
0.5865 Remote Similarity NPD7100 Approved
0.5862 Remote Similarity NPD5208 Approved
0.5854 Remote Similarity NPD5223 Approved
0.5847 Remote Similarity NPD7637 Suspended
0.5839 Remote Similarity NPD6336 Discontinued
0.5833 Remote Similarity NPD6317 Approved
0.5833 Remote Similarity NPD5654 Approved
0.5826 Remote Similarity NPD4519 Discontinued
0.5826 Remote Similarity NPD5280 Approved
0.5826 Remote Similarity NPD5690 Phase 2
0.5826 Remote Similarity NPD4694 Approved
0.5826 Remote Similarity NPD5279 Phase 3
0.5826 Remote Similarity NPD4623 Approved
0.5826 Remote Similarity NPD6098 Approved
0.5818 Remote Similarity NPD3617 Approved
0.5818 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5812 Remote Similarity NPD1695 Approved
0.5812 Remote Similarity NPD6101 Approved
0.5812 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5806 Remote Similarity NPD5225 Approved
0.5806 Remote Similarity NPD5224 Approved
0.5806 Remote Similarity NPD5226 Approved
0.5806 Remote Similarity NPD4633 Approved
0.5804 Remote Similarity NPD4692 Approved
0.5804 Remote Similarity NPD4790 Discontinued
0.5804 Remote Similarity NPD4139 Approved
0.5798 Remote Similarity NPD5133 Approved
0.5797 Remote Similarity NPD8074 Phase 3
0.5789 Remote Similarity NPD3133 Approved
0.5789 Remote Similarity NPD4197 Approved
0.5789 Remote Similarity NPD6314 Approved
0.5789 Remote Similarity NPD3665 Phase 1
0.5789 Remote Similarity NPD3666 Approved
0.5789 Remote Similarity NPD6313 Approved
0.5786 Remote Similarity NPD6914 Discontinued
0.5785 Remote Similarity NPD5222 Approved
0.5785 Remote Similarity NPD7614 Phase 1
0.5785 Remote Similarity NPD5220 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   70684689
ChEMBL   CHEMBL2071321
ZINC  

Physicochemical Properties

Molecular Weight:  480.29
ALogP:  2.8344
MLogP:  4.21
XLogP:  3.197
# Rotatable Bonds:  10
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  35

Download Data

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