Natural Product: NPC476754

Natural Product ID:  NPC476754
Common Name:   Bixmicrophylline B
IUPAC Name:  
Synonyms:   Bixmicrophylline B
Molecular Formula:   C24H35NO
Standard InCHIKey:  RGADTGZXHGYDQJ-QOLDVVLXSA-N
Standard InCHI:  InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17?,18-,20-,21+,22-,23+,24-/m0/s1
Canonical SMILES:  CN[C@H]1CC[C@]23C(C1=C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC(=O)/C/2=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
NPO24301 Buxus microphylla Species Buxaceae Eukaryota leaves and stems Kunming, Yunnan, China 2007-AUG PMID[19133780]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 780 nM 19133780
NPT111 Cell Line K562 Homo sapiens IC50 = 370 nM 19133780

  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 NPC476754 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
0.9659 High Similarity NPC476752
0.9659 High Similarity NPC476753
0.8989 High Similarity NPC259252
0.8864 High Similarity NPC311769
0.8864 High Similarity NPC182106
0.8427 Intermediate Similarity NPC21667
0.81 Intermediate Similarity NPC58200
0.8039 Intermediate Similarity NPC230677
0.7684 Intermediate Similarity NPC43308
0.7619 Intermediate Similarity NPC244982
0.7619 Intermediate Similarity NPC476756
0.7582 Intermediate Similarity NPC211322
0.7477 Intermediate Similarity NPC175585
0.7474 Intermediate Similarity NPC147513
0.7404 Intermediate Similarity NPC152718
0.7396 Intermediate Similarity NPC157479
0.7386 Intermediate Similarity NPC110615
0.7358 Intermediate Similarity NPC233256
0.7358 Intermediate Similarity NPC195841
0.7347 Intermediate Similarity NPC249312
0.734 Intermediate Similarity NPC472312
0.7333 Intermediate Similarity NPC255650
0.7308 Intermediate Similarity NPC34193
0.7282 Intermediate Similarity NPC140685
0.7273 Intermediate Similarity NPC477856
0.7273 Intermediate Similarity NPC214770
0.7253 Intermediate Similarity NPC69408
0.7238 Intermediate Similarity NPC226509
0.7234 Intermediate Similarity NPC329782
0.7222 Intermediate Similarity NPC255021
0.7184 Intermediate Similarity NPC184033
0.7143 Intermediate Similarity NPC293803
0.7128 Intermediate Similarity NPC12035
0.7117 Intermediate Similarity NPC124358
0.7111 Intermediate Similarity NPC303613
0.7111 Intermediate Similarity NPC474228
0.7111 Intermediate Similarity NPC251705
0.7103 Intermediate Similarity NPC469958
0.7079 Intermediate Similarity NPC35734
0.7079 Intermediate Similarity NPC2634
0.7079 Intermediate Similarity NPC265782
0.7079 Intermediate Similarity NPC159577
0.7079 Intermediate Similarity NPC282593
0.7079 Intermediate Similarity NPC251929
0.7075 Intermediate Similarity NPC476755
0.7064 Intermediate Similarity NPC24596
0.7053 Intermediate Similarity NPC90150
0.7053 Intermediate Similarity NPC152039
0.7053 Intermediate Similarity NPC118329
0.7009 Intermediate Similarity NPC98765
0.7 Intermediate Similarity NPC115023
0.7 Intermediate Similarity NPC234707
0.7 Intermediate Similarity NPC54123
0.6981 Remote Similarity NPC474001
0.6979 Remote Similarity NPC215474
0.6966 Remote Similarity NPC139397
0.6966 Remote Similarity NPC477857
0.6931 Remote Similarity NPC84171
0.6923 Remote Similarity NPC470045
0.6923 Remote Similarity NPC470044
0.6889 Remote Similarity NPC260040
0.6889 Remote Similarity NPC307176
0.6887 Remote Similarity NPC239768
0.6887 Remote Similarity NPC128698
0.6881 Remote Similarity NPC185929
0.6854 Remote Similarity NPC20610
0.6848 Remote Similarity NPC474797
0.6848 Remote Similarity NPC474796
0.6848 Remote Similarity NPC309852
0.6848 Remote Similarity NPC476904
0.6848 Remote Similarity NPC329866
0.6837 Remote Similarity NPC181743
0.6837 Remote Similarity NPC16287
0.6837 Remote Similarity NPC178025
0.6818 Remote Similarity NPC107704
0.6818 Remote Similarity NPC168824
0.6818 Remote Similarity NPC189917
0.6818 Remote Similarity NPC96812
0.6818 Remote Similarity NPC39462
0.6813 Remote Similarity NPC21773
0.6813 Remote Similarity NPC305501
0.6786 Remote Similarity NPC72688
0.6778 Remote Similarity NPC182815
0.6771 Remote Similarity NPC474509
0.6771 Remote Similarity NPC250632
0.6768 Remote Similarity NPC24733
0.6768 Remote Similarity NPC60350
0.6762 Remote Similarity NPC247220
0.6729 Remote Similarity NPC135799
0.6703 Remote Similarity NPC40574
0.6701 Remote Similarity NPC474122
0.6637 Remote Similarity NPC472313
0.6634 Remote Similarity NPC476293
0.663 Remote Similarity NPC470078
0.663 Remote Similarity NPC225467
0.663 Remote Similarity NPC190035
0.663 Remote Similarity NPC265789
0.663 Remote Similarity NPC5701
0.6629 Remote Similarity NPC323005
0.661 Remote Similarity NPC35037
0.6607 Remote Similarity NPC476918
0.66 Remote Similarity NPC152684
0.66 Remote Similarity NPC76283
0.6596 Remote Similarity NPC473171
0.6591 Remote Similarity NPC285371
0.6587 Remote Similarity NPC126458
0.6556 Remote Similarity NPC176107
0.6552 Remote Similarity NPC176336
0.6542 Remote Similarity NPC474164
0.6526 Remote Similarity NPC469793
0.6526 Remote Similarity NPC469796
0.6526 Remote Similarity NPC7214
0.6526 Remote Similarity NPC25110
0.6522 Remote Similarity NPC474452
0.6495 Remote Similarity NPC90965
0.6495 Remote Similarity NPC170793
0.6484 Remote Similarity NPC260474
0.6484 Remote Similarity NPC39157
0.6484 Remote Similarity NPC142754
0.6484 Remote Similarity NPC310992
0.6484 Remote Similarity NPC82477
0.6484 Remote Similarity NPC188292
0.6484 Remote Similarity NPC271640
0.6484 Remote Similarity NPC296697
0.6465 Remote Similarity NPC283277
0.6465 Remote Similarity NPC472239
0.6458 Remote Similarity NPC91665
0.6444 Remote Similarity NPC92327
0.6444 Remote Similarity NPC43300
0.6436 Remote Similarity NPC75810
0.6435 Remote Similarity NPC79238
0.6435 Remote Similarity NPC474459
0.6429 Remote Similarity NPC476926
0.6429 Remote Similarity NPC476328
0.6413 Remote Similarity NPC256846
0.6413 Remote Similarity NPC286814
0.6404 Remote Similarity NPC469662
0.6404 Remote Similarity NPC212210
0.64 Remote Similarity NPC171639
0.6392 Remote Similarity NPC115515
0.6389 Remote Similarity NPC167419
0.6381 Remote Similarity NPC23217
0.6374 Remote Similarity NPC220210
0.6374 Remote Similarity NPC20181
0.6371 Remote Similarity NPC317654
0.6371 Remote Similarity NPC96010
0.6339 Remote Similarity NPC119329
0.6333 Remote Similarity NPC469970
0.6327 Remote Similarity NPC215843
0.632 Remote Similarity NPC478136
0.6316 Remote Similarity NPC159367
0.6316 Remote Similarity NPC211641
0.6316 Remote Similarity NPC476920
0.6316 Remote Similarity NPC476919
0.6316 Remote Similarity NPC159497
0.6316 Remote Similarity NPC476276
0.6311 Remote Similarity NPC93778
0.6306 Remote Similarity NPC176012
0.6304 Remote Similarity NPC87141
0.63 Remote Similarity NPC320514
0.63 Remote Similarity NPC469805
0.63 Remote Similarity NPC469804
0.63 Remote Similarity NPC472867
0.63 Remote Similarity NPC3511
0.63 Remote Similarity NPC142253
0.6293 Remote Similarity NPC143173
0.6292 Remote Similarity NPC165695
0.6292 Remote Similarity NPC197238
0.6292 Remote Similarity NPC202118
0.6289 Remote Similarity NPC470557
0.6277 Remote Similarity NPC223187
0.6277 Remote Similarity NPC181204
0.6275 Remote Similarity NPC29447
0.6275 Remote Similarity NPC34811
0.6273 Remote Similarity NPC477964
0.625 Remote Similarity NPC127582
0.625 Remote Similarity NPC25853
0.625 Remote Similarity NPC125828
0.6238 Remote Similarity NPC279639
0.6238 Remote Similarity NPC474790
0.6238 Remote Similarity NPC3856
0.6238 Remote Similarity NPC474976
0.6237 Remote Similarity NPC138409
0.6224 Remote Similarity NPC469996
0.6224 Remote Similarity NPC228911
0.6224 Remote Similarity NPC470052
0.6224 Remote Similarity NPC82635
0.6222 Remote Similarity NPC475124
0.6222 Remote Similarity NPC53276
0.6216 Remote Similarity NPC118275
0.6214 Remote Similarity NPC56107
0.6214 Remote Similarity NPC166458
0.6211 Remote Similarity NPC474488
0.6207 Remote Similarity NPC94991
0.6207 Remote Similarity NPC266295
0.6207 Remote Similarity NPC63511
0.6204 Remote Similarity NPC174117
0.6204 Remote Similarity NPC476174
0.62 Remote Similarity NPC473217
0.62 Remote Similarity NPC257962

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476754 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
0.7083 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4691 Approved
0.6966 Remote Similarity NPD4137 Phase 3
0.6893 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4747 Approved
0.6848 Remote Similarity NPD4058 Approved
0.6667 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5733 Approved
0.663 Remote Similarity NPD5365 Phase 2
0.6531 Remote Similarity NPD8028 Phase 2
0.6489 Remote Similarity NPD4687 Approved
0.6452 Remote Similarity NPD5276 Approved
0.6296 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6195 Remote Similarity NPD7812 Clinical (unspecified phase)
0.6162 Remote Similarity NPD7155 Clinical (unspecified phase)
0.6139 Remote Similarity NPD4221 Approved
0.6139 Remote Similarity NPD4223 Phase 3
0.6117 Remote Similarity NPD5329 Approved
0.6095 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6061 Remote Similarity NPD4776 Phase 2
0.6061 Remote Similarity NPD4777 Suspended
0.6058 Remote Similarity NPD7521 Approved
0.6058 Remote Similarity NPD6684 Approved
0.6058 Remote Similarity NPD5330 Approved
0.6058 Remote Similarity NPD7146 Approved
0.6058 Remote Similarity NPD6409 Approved
0.6058 Remote Similarity NPD7334 Approved
0.6019 Remote Similarity NPD3665 Phase 1
0.6019 Remote Similarity NPD3133 Approved
0.6019 Remote Similarity NPD4197 Approved
0.6019 Remote Similarity NPD3666 Approved
0.5943 Remote Similarity NPD5737 Approved
0.5943 Remote Similarity NPD6903 Approved
0.5943 Remote Similarity NPD6672 Approved
0.5938 Remote Similarity NPD6330 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6079 Approved
0.5909 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5905 Remote Similarity NPD4689 Approved
0.5905 Remote Similarity NPD3618 Phase 1
0.5905 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5905 Remote Similarity NPD4138 Approved
0.5905 Remote Similarity NPD4690 Approved
0.5905 Remote Similarity NPD4693 Phase 3
0.5905 Remote Similarity NPD4688 Approved
0.5905 Remote Similarity NPD5690 Phase 2
0.5905 Remote Similarity NPD5205 Approved
0.59 Remote Similarity NPD3617 Approved
0.5888 Remote Similarity NPD6904 Approved
0.5888 Remote Similarity NPD6080 Approved
0.5888 Remote Similarity NPD6673 Approved
0.5888 Remote Similarity NPD5328 Approved
0.5865 Remote Similarity NPD4786 Approved
0.5862 Remote Similarity NPD7333 Discontinued
0.5841 Remote Similarity NPD6404 Discontinued
0.5833 Remote Similarity NPD4096 Approved
0.5825 Remote Similarity NPD3667 Approved
0.5818 Remote Similarity NPD6001 Approved
0.5794 Remote Similarity NPD5208 Approved
0.5784 Remote Similarity NPD4695 Discontinued
0.5769 Remote Similarity NPD4788 Approved
0.5755 Remote Similarity NPD5280 Approved
0.5755 Remote Similarity NPD6098 Approved
0.5755 Remote Similarity NPD4694 Approved
0.5741 Remote Similarity NPD4753 Phase 2
0.5714 Remote Similarity NPD7732 Phase 3
0.5714 Remote Similarity NPD3668 Phase 3
0.5714 Remote Similarity NPD7614 Phase 1
0.5702 Remote Similarity NPD7336 Phase 2
0.5702 Remote Similarity NPD7337 Clinical (unspecified phase)
0.5702 Remote Similarity NPD7335 Phase 2
0.5686 Remote Similarity NPD4195 Approved
0.5667 Remote Similarity NPD287 Approved
0.5664 Remote Similarity NPD4657 Approved
0.5664 Remote Similarity NPD4655 Approved
0.5636 Remote Similarity NPD5693 Phase 1
0.5636 Remote Similarity NPD6050 Approved
0.5625 Remote Similarity NPD5210 Approved
0.5625 Remote Similarity NPD4629 Approved
0.5607 Remote Similarity NPD5279 Phase 3
0.5607 Remote Similarity NPD4519 Discontinued
0.5607 Remote Similarity NPD4623 Approved
0.5606 Remote Similarity NPD6914 Discontinued
0.5603 Remote Similarity NPD6027 Approved
0.5603 Remote Similarity NPD6024 Approved

Structure

External Identifiers

PubChem CID   45271307
ChEMBL   CHEMBL552303
ZINC  

Physicochemical Properties

Molecular Weight:  353.27
ALogP:  1.0357
MLogP:  3.88
XLogP:  5.626
# Rotatable Bonds:  5
Polar Surface Area:  29.1
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  26

Download Data

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