Natural Product: NPC163236

Natural Product ID:  NPC163236
Common Name:   Laxifolone A
IUPAC Name:   (4aR,6aR,6aR,6bR,8aR,10S,12aS,14aS)-10-methoxy-2,2,4a,6a,6b,9,9,12a-octamethyl-4,5,6,6a,7,8,8a,10,11,12,14,14a-dodecahydro-3H-picen-13-one
Synonyms:  
Molecular Formula:   C31H50O2
Standard InCHIKey:  SKDYQHGGKFXAGK-GSNHWIIESA-N
Standard InCHI:  InChI=1S/C31H50O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(32)25-29(6)12-11-24(33-9)27(3,4)23(29)10-13-31(25,30)8/h19-20,23-25H,10-18H2,1-9H3/t20-,23+,24+,25-,28-,29+,30-,31-/m1/s1
Canonical SMILES:  CO[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C[C@H]2[C@@]1(C)CC[C@@]1(C2=CC(C)(C)CC1)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
NPO25119 Euonymus laxiflorus Species Celastraceae Eukaryota PMID[12713415]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 62400 ug/ml 23368884
NPT113 Cell Line RAW264.7 Mus musculus Inhibition > 80 % 23368884
NPT113 Cell Line RAW264.7 Mus musculus Activity > 95 % 23675610

  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 NPC163236 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
0.9375 High Similarity NPC133954
0.9259 High Similarity NPC9892
0.9259 High Similarity NPC74363
0.9259 High Similarity NPC91525
0.9259 High Similarity NPC213412
0.9259 High Similarity NPC10005
0.9259 High Similarity NPC329943
0.9259 High Similarity NPC475862
0.9146 High Similarity NPC162107
0.9146 High Similarity NPC73064
0.9146 High Similarity NPC46912
0.9036 High Similarity NPC246708
0.9036 High Similarity NPC40552
0.9036 High Similarity NPC474845
0.9036 High Similarity NPC224145
0.9024 High Similarity NPC477579
0.9024 High Similarity NPC95594
0.9024 High Similarity NPC235341
0.9012 High Similarity NPC180834
0.8987 High Similarity NPC267517
0.8929 High Similarity NPC470588
0.8929 High Similarity NPC69627
0.8929 High Similarity NPC475049
0.8916 High Similarity NPC142415
0.8916 High Similarity NPC171203
0.8916 High Similarity NPC18064
0.8916 High Similarity NPC242468
0.8916 High Similarity NPC98442
0.8916 High Similarity NPC88716
0.8916 High Similarity NPC293564
0.8916 High Similarity NPC51700
0.8916 High Similarity NPC307426
0.8916 High Similarity NPC130577
0.8916 High Similarity NPC68160
0.8916 High Similarity NPC102683
0.8875 High Similarity NPC3915
0.8837 High Similarity NPC214756
0.8837 High Similarity NPC295643
0.8837 High Similarity NPC272075
0.8824 High Similarity NPC474728
0.8824 High Similarity NPC120840
0.8824 High Similarity NPC291028
0.8824 High Similarity NPC113989
0.881 High Similarity NPC17733
0.881 High Similarity NPC52169
0.881 High Similarity NPC473242
0.881 High Similarity NPC290690
0.881 High Similarity NPC182797
0.881 High Similarity NPC470629
0.881 High Similarity NPC474512
0.881 High Similarity NPC181225
0.8795 High Similarity NPC72638
0.878 High Similarity NPC312660
0.8765 High Similarity NPC310989
0.8736 High Similarity NPC74751
0.8721 High Similarity NPC145067
0.8721 High Similarity NPC285184
0.8721 High Similarity NPC105189
0.8721 High Similarity NPC77099
0.8721 High Similarity NPC474525
0.8721 High Similarity NPC233455
0.8721 High Similarity NPC470590
0.8721 High Similarity NPC158030
0.8721 High Similarity NPC60755
0.8721 High Similarity NPC4036
0.8721 High Similarity NPC65120
0.8706 High Similarity NPC121798
0.8706 High Similarity NPC161751
0.8706 High Similarity NPC263393
0.8706 High Similarity NPC143232
0.8706 High Similarity NPC64872
0.8706 High Similarity NPC30522
0.8706 High Similarity NPC61543
0.8706 High Similarity NPC293048
0.8706 High Similarity NPC290972
0.8706 High Similarity NPC225585
0.8706 High Similarity NPC234346
0.8706 High Similarity NPC127689
0.8706 High Similarity NPC270768
0.8706 High Similarity NPC25906
0.8706 High Similarity NPC198664
0.8706 High Similarity NPC95246
0.8706 High Similarity NPC59263
0.8706 High Similarity NPC130520
0.8706 High Similarity NPC274330
0.8706 High Similarity NPC474972
0.8675 High Similarity NPC274724
0.8642 High Similarity NPC195334
0.8642 High Similarity NPC290495
0.8621 High Similarity NPC74855
0.8621 High Similarity NPC474436
0.8621 High Similarity NPC307335
0.8621 High Similarity NPC49776
0.8621 High Similarity NPC86368
0.8621 High Similarity NPC63118
0.8621 High Similarity NPC136313
0.8605 High Similarity NPC126369
0.8605 High Similarity NPC193750
0.8605 High Similarity NPC130278
0.8605 High Similarity NPC111110
0.8605 High Similarity NPC210037
0.8605 High Similarity NPC273621
0.8605 High Similarity NPC290614
0.8605 High Similarity NPC477872
0.8605 High Similarity NPC46441
0.8605 High Similarity NPC86372
0.8605 High Similarity NPC120968
0.8605 High Similarity NPC7260
0.8605 High Similarity NPC470589
0.8605 High Similarity NPC172361
0.8605 High Similarity NPC227467
0.8605 High Similarity NPC18872
0.8588 High Similarity NPC472802
0.8571 High Similarity NPC158393
0.8539 High Similarity NPC98874
0.8537 High Similarity NPC286786
0.8537 High Similarity NPC48362
0.8523 High Similarity NPC184006
0.8523 High Similarity NPC474529
0.8523 High Similarity NPC78580
0.8523 High Similarity NPC91010
0.8523 High Similarity NPC296164
0.8523 High Similarity NPC23621
0.8506 High Similarity NPC288833
0.8506 High Similarity NPC471588
0.8506 High Similarity NPC228784
0.8506 High Similarity NPC52021
0.8506 High Similarity NPC324341
0.8506 High Similarity NPC187722
0.8506 High Similarity NPC966
0.8506 High Similarity NPC282616
0.8506 High Similarity NPC300351
0.8506 High Similarity NPC71074
0.8506 High Similarity NPC84319
0.8506 High Similarity NPC472149
0.8506 High Similarity NPC235884
0.8506 High Similarity NPC25299
0.8506 High Similarity NPC155120
0.8506 High Similarity NPC306541
0.8506 High Similarity NPC6255
0.8506 High Similarity NPC38754
0.8488 Intermediate Similarity NPC474686
0.8471 Intermediate Similarity NPC71507
0.8444 Intermediate Similarity NPC26413
0.8434 Intermediate Similarity NPC132386
0.8427 Intermediate Similarity NPC139570
0.8427 Intermediate Similarity NPC474727
0.8427 Intermediate Similarity NPC23241
0.8427 Intermediate Similarity NPC195715
0.8427 Intermediate Similarity NPC148523
0.8421 Intermediate Similarity NPC286814
0.8415 Intermediate Similarity NPC274050
0.8415 Intermediate Similarity NPC263272
0.8415 Intermediate Similarity NPC162632
0.8415 Intermediate Similarity NPC267691
0.8415 Intermediate Similarity NPC108476
0.8409 Intermediate Similarity NPC275809
0.8409 Intermediate Similarity NPC118519
0.8409 Intermediate Similarity NPC202728
0.8409 Intermediate Similarity NPC158059
0.8409 Intermediate Similarity NPC298554
0.8409 Intermediate Similarity NPC229281
0.8409 Intermediate Similarity NPC118490
0.8391 Intermediate Similarity NPC85173
0.8391 Intermediate Similarity NPC198818
0.8391 Intermediate Similarity NPC328141
0.8391 Intermediate Similarity NPC49320
0.8375 Intermediate Similarity NPC157996
0.8375 Intermediate Similarity NPC40394
0.8375 Intermediate Similarity NPC34177
0.8375 Intermediate Similarity NPC101475
0.8372 Intermediate Similarity NPC206060
0.8372 Intermediate Similarity NPC230387
0.8353 Intermediate Similarity NPC325594
0.8353 Intermediate Similarity NPC73038
0.8352 Intermediate Similarity NPC471966
0.8333 Intermediate Similarity NPC171789
0.8333 Intermediate Similarity NPC230151
0.8333 Intermediate Similarity NPC157113
0.8333 Intermediate Similarity NPC327179
0.8333 Intermediate Similarity NPC62516
0.8315 Intermediate Similarity NPC159365
0.8315 Intermediate Similarity NPC23170
0.8315 Intermediate Similarity NPC6818
0.8315 Intermediate Similarity NPC209868
0.8315 Intermediate Similarity NPC299996
0.8315 Intermediate Similarity NPC32407
0.8315 Intermediate Similarity NPC20235
0.8315 Intermediate Similarity NPC114159
0.8315 Intermediate Similarity NPC282395
0.8315 Intermediate Similarity NPC222047
0.8315 Intermediate Similarity NPC263548
0.8315 Intermediate Similarity NPC88116
0.8315 Intermediate Similarity NPC231063
0.8315 Intermediate Similarity NPC145667
0.8315 Intermediate Similarity NPC191412
0.8313 Intermediate Similarity NPC69101
0.8313 Intermediate Similarity NPC251779
0.8295 Intermediate Similarity NPC272746
0.8295 Intermediate Similarity NPC301244

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163236 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
0.8736 High Similarity NPD7901 Clinical (unspecified phase)
0.8736 High Similarity NPD7748 Approved
0.8736 High Similarity NPD7900 Approved
0.8721 High Similarity NPD7515 Phase 2
0.8444 Intermediate Similarity NPD7902 Approved
0.8395 Intermediate Similarity NPD7645 Phase 2
0.8161 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD3618 Phase 1
0.8118 Intermediate Similarity NPD4786 Approved
0.8095 Intermediate Similarity NPD3667 Approved
0.8068 Intermediate Similarity NPD5328 Approved
0.7931 Intermediate Similarity NPD5330 Approved
0.7931 Intermediate Similarity NPD7521 Approved
0.7931 Intermediate Similarity NPD7334 Approved
0.7931 Intermediate Similarity NPD6684 Approved
0.7931 Intermediate Similarity NPD6409 Approved
0.7931 Intermediate Similarity NPD7146 Approved
0.7907 Intermediate Similarity NPD3668 Phase 3
0.7889 Intermediate Similarity NPD6079 Approved
0.7841 Intermediate Similarity NPD3573 Approved
0.7816 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6903 Approved
0.7701 Intermediate Similarity NPD3666 Approved
0.7701 Intermediate Similarity NPD3133 Approved
0.7701 Intermediate Similarity NPD3665 Phase 1
0.7609 Intermediate Similarity NPD6399 Phase 3
0.7609 Intermediate Similarity NPD4202 Approved
0.7556 Intermediate Similarity NPD6672 Approved
0.7556 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD8035 Phase 2
0.75 Intermediate Similarity NPD8034 Phase 2
0.7368 Intermediate Similarity NPD5222 Approved
0.7368 Intermediate Similarity NPD4697 Phase 3
0.7368 Intermediate Similarity NPD5221 Approved
0.7368 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6098 Approved
0.7292 Intermediate Similarity NPD5173 Approved
0.7292 Intermediate Similarity NPD4755 Approved
0.7284 Intermediate Similarity NPD4137 Phase 3
0.7283 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4221 Approved
0.7273 Intermediate Similarity NPD4223 Phase 3
0.7263 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4695 Discontinued
0.7241 Intermediate Similarity NPD7525 Registered
0.7222 Intermediate Similarity NPD5329 Approved
0.7195 Intermediate Similarity NPD4747 Approved
0.7195 Intermediate Similarity NPD4691 Approved
0.7188 Intermediate Similarity NPD7732 Phase 3
0.716 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4700 Approved
0.7143 Intermediate Similarity NPD4696 Approved
0.7143 Intermediate Similarity NPD5285 Approved
0.7143 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5286 Approved
0.7129 Intermediate Similarity NPD5739 Approved
0.7129 Intermediate Similarity NPD6402 Approved
0.7129 Intermediate Similarity NPD6675 Approved
0.7129 Intermediate Similarity NPD7128 Approved
0.7111 Intermediate Similarity NPD4197 Approved
0.7097 Intermediate Similarity NPD6673 Approved
0.7097 Intermediate Similarity NPD6904 Approved
0.7097 Intermediate Similarity NPD6080 Approved
0.7097 Intermediate Similarity NPD4753 Phase 2
0.7071 Intermediate Similarity NPD5223 Approved
0.7059 Intermediate Similarity NPD7339 Approved
0.7059 Intermediate Similarity NPD6942 Approved
0.7041 Intermediate Similarity NPD7638 Approved
0.7033 Intermediate Similarity NPD1694 Approved
0.7011 Intermediate Similarity NPD3617 Approved
0.7 Intermediate Similarity NPD5226 Approved
0.7 Intermediate Similarity NPD4788 Approved
0.7 Intermediate Similarity NPD5224 Approved
0.7 Intermediate Similarity NPD4633 Approved
0.7 Intermediate Similarity NPD5225 Approved
0.7 Intermediate Similarity NPD5211 Phase 2
0.699 Remote Similarity NPD7320 Approved
0.699 Remote Similarity NPD6881 Approved
0.699 Remote Similarity NPD6899 Approved
0.6989 Remote Similarity NPD5208 Approved
0.6979 Remote Similarity NPD6001 Approved
0.6977 Remote Similarity NPD3701 Clinical (unspecified phase)
0.697 Remote Similarity NPD7640 Approved
0.697 Remote Similarity NPD7639 Approved
0.6966 Remote Similarity NPD8028 Phase 2
0.6961 Remote Similarity NPD6008 Approved
0.6957 Remote Similarity NPD4689 Approved
0.6957 Remote Similarity NPD4690 Approved
0.6957 Remote Similarity NPD4519 Discontinued
0.6957 Remote Similarity NPD4693 Phase 3
0.6957 Remote Similarity NPD4688 Approved
0.6957 Remote Similarity NPD5205 Approved
0.6957 Remote Similarity NPD4138 Approved
0.6957 Remote Similarity NPD4623 Approved
0.6941 Remote Similarity NPD4058 Approved
0.6941 Remote Similarity NPD5733 Approved
0.6939 Remote Similarity NPD6084 Phase 2
0.6939 Remote Similarity NPD6083 Phase 2
0.6931 Remote Similarity NPD5175 Approved
0.6931 Remote Similarity NPD5174 Approved
0.6931 Remote Similarity NPD4754 Approved
0.6923 Remote Similarity NPD6372 Approved
0.6923 Remote Similarity NPD6373 Approved
0.6905 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5701 Approved
0.6893 Remote Similarity NPD5697 Approved
0.6889 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5141 Approved
0.6857 Remote Similarity NPD6883 Approved
0.6857 Remote Similarity NPD7290 Approved
0.6857 Remote Similarity NPD7102 Approved
0.6837 Remote Similarity NPD7614 Phase 1
0.6827 Remote Similarity NPD6011 Approved
0.6796 Remote Similarity NPD4767 Approved
0.6796 Remote Similarity NPD4768 Approved
0.6792 Remote Similarity NPD6617 Approved
0.6792 Remote Similarity NPD8130 Phase 1
0.6792 Remote Similarity NPD6847 Approved
0.6792 Remote Similarity NPD6869 Approved
0.6792 Remote Similarity NPD6650 Approved
0.6792 Remote Similarity NPD6649 Approved
0.6792 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5280 Approved
0.6774 Remote Similarity NPD4694 Approved
0.6774 Remote Similarity NPD5690 Phase 2
0.6771 Remote Similarity NPD5693 Phase 1
0.6771 Remote Similarity NPD6050 Approved
0.6771 Remote Similarity NPD6411 Approved
0.6762 Remote Similarity NPD6014 Approved
0.6762 Remote Similarity NPD6013 Approved
0.6762 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6762 Remote Similarity NPD6012 Approved
0.6744 Remote Similarity NPD4687 Approved
0.6735 Remote Similarity NPD5210 Approved
0.6735 Remote Similarity NPD4629 Approved
0.6735 Remote Similarity NPD5695 Phase 3
0.6731 Remote Similarity NPD6412 Phase 2
0.6729 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD8297 Approved
0.6726 Remote Similarity NPD8328 Phase 3
0.6706 Remote Similarity NPD5276 Approved
0.6706 Remote Similarity NPD5777 Approved
0.67 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD4730 Approved
0.6667 Remote Similarity NPD5168 Approved
0.6667 Remote Similarity NPD4729 Approved
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD3703 Phase 2
0.6667 Remote Similarity NPD5692 Phase 3
0.6636 Remote Similarity NPD7115 Discovery
0.6598 Remote Similarity NPD5694 Approved
0.6593 Remote Similarity NPD4692 Approved
0.6593 Remote Similarity NPD4139 Approved
0.6591 Remote Similarity NPD6117 Approved
0.6588 Remote Similarity NPD4244 Approved
0.6588 Remote Similarity NPD4245 Approved
0.6562 Remote Similarity NPD6101 Approved
0.6562 Remote Similarity NPD6051 Approved
0.6562 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4195 Approved
0.6552 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6548 Remote Similarity NPD5360 Phase 3
0.6548 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6868 Approved
0.6542 Remote Similarity NPD4634 Approved
0.6542 Remote Similarity NPD5251 Approved
0.6542 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5135 Approved
0.6542 Remote Similarity NPD5249 Phase 3
0.6542 Remote Similarity NPD5169 Approved
0.6542 Remote Similarity NPD5248 Approved
0.6542 Remote Similarity NPD5247 Approved
0.6542 Remote Similarity NPD5250 Approved
0.6517 Remote Similarity NPD6116 Phase 1
0.6514 Remote Similarity NPD7094 Approved
0.6514 Remote Similarity NPD4632 Approved
0.6514 Remote Similarity NPD6858 Approved
0.6512 Remote Similarity NPD4243 Approved
0.6486 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6484 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5215 Approved
0.6481 Remote Similarity NPD5216 Approved
0.6481 Remote Similarity NPD5217 Approved
0.6481 Remote Similarity NPD5127 Approved
0.6477 Remote Similarity NPD8039 Approved
0.6471 Remote Similarity NPD3698 Phase 2
0.6444 Remote Similarity NPD6114 Approved
0.6444 Remote Similarity NPD6115 Approved
0.6444 Remote Similarity NPD6118 Approved
0.6444 Remote Similarity NPD6697 Approved
0.6429 Remote Similarity NPD5284 Approved
0.6429 Remote Similarity NPD6335 Approved
0.6429 Remote Similarity NPD5281 Approved
0.6396 Remote Similarity NPD6274 Approved
0.6395 Remote Similarity NPD4789 Approved

Structure

External Identifiers

PubChem CID   21629610
ChEMBL   CHEMBL467199
ZINC  

Physicochemical Properties

Molecular Weight:  454.38
ALogP:  2.7937
MLogP:  4.65
XLogP:  9.158
# Rotatable Bonds:  10
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  33

Download Data

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