Natural Product: NPC474700

Natural Product ID:  NPC474700
Common Name:   Acridocarpusic Acid B
IUPAC Name:   (2R,4aS,6aR,6aR,6bR,8aR,9S,12aR,14aS)-9-(acetyloxymethyl)-2,6a,6b,9,12a-pentamethyl-10-oxo-2,3,4,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
Synonyms:   23-Beta-Acetoxymoronic Acid
Molecular Formula:   C31H46O5
Standard InCHIKey:  YTFJZCMZQXUYQM-DUKHJINKSA-N
Standard InCHI:  InChI=1S/C31H46O5/c1-19-9-14-31(26(34)35)16-15-29(5)21(22(31)17-19)7-8-24-27(3)12-11-25(33)28(4,18-36-20(2)32)23(27)10-13-30(24,29)6/h17,19,21,23-24H,7-16,18H2,1-6H3,(H,34,35)/t19-,21-,23-,24-,27+,28-,29-,30-,31+/m1/s1
Canonical SMILES:  CC(=O)OC[C@@]1(C)C(=O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1(C2=C[C@@H](CC1)C)C(=O)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
NPO10810 Acridocarpus vivy Species Malpighiaceae Eukaryota Madagascar rain forest PMID[15217279]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 11.6 ug/ml 9214736

  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 NPC474700 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
0.9643 High Similarity NPC474511
0.9643 High Similarity NPC1753
0.9524 High Similarity NPC173089
0.9524 High Similarity NPC158141
0.9213 High Similarity NPC195715
0.9195 High Similarity NPC474728
0.9186 High Similarity NPC474474
0.9167 High Similarity NPC312660
0.9157 High Similarity NPC251779
0.9157 High Similarity NPC69101
0.9101 High Similarity NPC78580
0.9101 High Similarity NPC23621
0.9101 High Similarity NPC148964
0.9101 High Similarity NPC184006
0.9091 High Similarity NPC77099
0.9091 High Similarity NPC285184
0.9091 High Similarity NPC6255
0.9091 High Similarity NPC60755
0.9091 High Similarity NPC471588
0.9091 High Similarity NPC470590
0.9048 High Similarity NPC200752
0.9036 High Similarity NPC263272
0.9036 High Similarity NPC162632
0.9036 High Similarity NPC274050
0.9036 High Similarity NPC267691
0.9011 High Similarity NPC26413
0.9 High Similarity NPC23241
0.8989 High Similarity NPC169343
0.8977 High Similarity NPC198818
0.8977 High Similarity NPC120840
0.8977 High Similarity NPC113989
0.8941 High Similarity NPC96095
0.8929 High Similarity NPC310989
0.8916 High Similarity NPC104545
0.8916 High Similarity NPC267517
0.8901 High Similarity NPC98874
0.8889 High Similarity NPC74751
0.8889 High Similarity NPC209868
0.8889 High Similarity NPC474529
0.8876 High Similarity NPC38754
0.8876 High Similarity NPC288833
0.8876 High Similarity NPC324341
0.8876 High Similarity NPC966
0.8876 High Similarity NPC228784
0.8876 High Similarity NPC155120
0.8876 High Similarity NPC282616
0.8864 High Similarity NPC274330
0.8864 High Similarity NPC474570
0.8864 High Similarity NPC470588
0.8864 High Similarity NPC30522
0.8864 High Similarity NPC281524
0.8864 High Similarity NPC143232
0.8864 High Similarity NPC198664
0.8824 High Similarity NPC70834
0.881 High Similarity NPC3915
0.8795 High Similarity NPC199595
0.8795 High Similarity NPC16394
0.8791 High Similarity NPC148523
0.8778 High Similarity NPC272075
0.8778 High Similarity NPC86368
0.8778 High Similarity NPC295643
0.8778 High Similarity NPC298554
0.8778 High Similarity NPC214756
0.8764 High Similarity NPC193750
0.8764 High Similarity NPC46441
0.8764 High Similarity NPC86372
0.8764 High Similarity NPC126369
0.8764 High Similarity NPC172361
0.8764 High Similarity NPC470589
0.8764 High Similarity NPC291028
0.8764 High Similarity NPC111110
0.875 High Similarity NPC17733
0.875 High Similarity NPC52169
0.875 High Similarity NPC473242
0.875 High Similarity NPC246708
0.875 High Similarity NPC181225
0.875 High Similarity NPC182797
0.875 High Similarity NPC40552
0.875 High Similarity NPC290690
0.875 High Similarity NPC470629
0.875 High Similarity NPC474512
0.8736 High Similarity NPC324063
0.8723 High Similarity NPC93744
0.8723 High Similarity NPC476888
0.8721 High Similarity NPC180834
0.8721 High Similarity NPC156981
0.871 High Similarity NPC164349
0.8696 High Similarity NPC327179
0.8696 High Similarity NPC132824
0.869 High Similarity NPC477057
0.869 High Similarity NPC37038
0.8681 High Similarity NPC296164
0.8681 High Similarity NPC222047
0.8675 High Similarity NPC110094
0.8675 High Similarity NPC280654
0.8675 High Similarity NPC260385
0.8667 High Similarity NPC105189
0.8667 High Similarity NPC65120
0.8667 High Similarity NPC187722
0.8667 High Similarity NPC474525
0.8667 High Similarity NPC158030
0.8667 High Similarity NPC4036
0.8667 High Similarity NPC233455
0.8667 High Similarity NPC145067
0.8652 High Similarity NPC234346
0.8652 High Similarity NPC59263
0.8652 High Similarity NPC25906
0.8652 High Similarity NPC64872
0.8652 High Similarity NPC477973
0.8652 High Similarity NPC130520
0.8652 High Similarity NPC61543
0.8652 High Similarity NPC121798
0.8652 High Similarity NPC263393
0.8652 High Similarity NPC293048
0.8652 High Similarity NPC270768
0.8652 High Similarity NPC290972
0.8652 High Similarity NPC225585
0.8652 High Similarity NPC127689
0.8636 High Similarity NPC18064
0.8636 High Similarity NPC102683
0.8636 High Similarity NPC71507
0.8636 High Similarity NPC88716
0.8636 High Similarity NPC130577
0.8636 High Similarity NPC98442
0.8636 High Similarity NPC96496
0.8636 High Similarity NPC51700
0.8636 High Similarity NPC142415
0.8636 High Similarity NPC171203
0.8636 High Similarity NPC162107
0.8636 High Similarity NPC293564
0.8636 High Similarity NPC46912
0.8636 High Similarity NPC242468
0.8636 High Similarity NPC68160
0.8636 High Similarity NPC307426
0.8632 High Similarity NPC476890
0.8632 High Similarity NPC40918
0.8621 High Similarity NPC76333
0.8602 High Similarity NPC158347
0.8602 High Similarity NPC187933
0.8588 High Similarity NPC327002
0.8588 High Similarity NPC471898
0.8587 High Similarity NPC474727
0.8587 High Similarity NPC777
0.8571 High Similarity NPC263780
0.8571 High Similarity NPC63118
0.8571 High Similarity NPC327674
0.8571 High Similarity NPC136313
0.8571 High Similarity NPC202728
0.8571 High Similarity NPC118490
0.8571 High Similarity NPC307335
0.8571 High Similarity NPC231431
0.8571 High Similarity NPC118519
0.8571 High Similarity NPC158059
0.8571 High Similarity NPC74855
0.8571 High Similarity NPC49776
0.8571 High Similarity NPC474436
0.8571 High Similarity NPC229281
0.8556 High Similarity NPC477872
0.8556 High Similarity NPC18872
0.8556 High Similarity NPC7260
0.8556 High Similarity NPC120968
0.8556 High Similarity NPC227467
0.8556 High Similarity NPC273621
0.8556 High Similarity NPC130278
0.8556 High Similarity NPC210037
0.8556 High Similarity NPC290614
0.8554 High Similarity NPC471897
0.8554 High Similarity NPC471899
0.8554 High Similarity NPC107039
0.8542 High Similarity NPC476889
0.8539 High Similarity NPC474845
0.8523 High Similarity NPC329943
0.8523 High Similarity NPC9892
0.8523 High Similarity NPC72638
0.8523 High Similarity NPC10005
0.8523 High Similarity NPC56588
0.8523 High Similarity NPC91525
0.8511 High Similarity NPC471966
0.8511 High Similarity NPC260149
0.8511 High Similarity NPC111214
0.8511 High Similarity NPC174663
0.8511 High Similarity NPC188833
0.8511 High Similarity NPC271614
0.8511 High Similarity NPC58942
0.8511 High Similarity NPC29765
0.8495 Intermediate Similarity NPC201657
0.8495 Intermediate Similarity NPC157113
0.8495 Intermediate Similarity NPC62516
0.8495 Intermediate Similarity NPC230151
0.8478 Intermediate Similarity NPC114159
0.8478 Intermediate Similarity NPC191412
0.8478 Intermediate Similarity NPC159365
0.8478 Intermediate Similarity NPC6818
0.8478 Intermediate Similarity NPC474963
0.8478 Intermediate Similarity NPC87095
0.8478 Intermediate Similarity NPC91010
0.8462 Intermediate Similarity NPC84319
0.8462 Intermediate Similarity NPC470036
0.8462 Intermediate Similarity NPC71074
0.8462 Intermediate Similarity NPC25299

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474700 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
0.8889 High Similarity NPD7748 Approved
0.8667 High Similarity NPD7515 Phase 2
0.8602 High Similarity NPD7902 Approved
0.837 Intermediate Similarity NPD6399 Phase 3
0.828 Intermediate Similarity NPD7900 Approved
0.828 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8132 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD5737 Approved
0.7935 Intermediate Similarity NPD6672 Approved
0.7912 Intermediate Similarity NPD6409 Approved
0.7912 Intermediate Similarity NPD7334 Approved
0.7912 Intermediate Similarity NPD5330 Approved
0.7912 Intermediate Similarity NPD7146 Approved
0.7912 Intermediate Similarity NPD6684 Approved
0.7912 Intermediate Similarity NPD7521 Approved
0.7889 Intermediate Similarity NPD4786 Approved
0.7872 Intermediate Similarity NPD6411 Approved
0.7865 Intermediate Similarity NPD3667 Approved
0.7835 Intermediate Similarity NPD6084 Phase 2
0.7835 Intermediate Similarity NPD6083 Phase 2
0.7742 Intermediate Similarity NPD6903 Approved
0.7684 Intermediate Similarity NPD8034 Phase 2
0.7684 Intermediate Similarity NPD8035 Phase 2
0.766 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD6101 Approved
0.764 Intermediate Similarity NPD4695 Discontinued
0.7629 Intermediate Similarity NPD5695 Phase 3
0.7609 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD5696 Approved
0.7551 Intermediate Similarity NPD7614 Phase 1
0.7528 Intermediate Similarity NPD7645 Phase 2
0.7527 Intermediate Similarity NPD6098 Approved
0.75 Intermediate Similarity NPD3668 Phase 3
0.75 Intermediate Similarity NPD3665 Phase 1
0.75 Intermediate Similarity NPD3133 Approved
0.75 Intermediate Similarity NPD3666 Approved
0.7474 Intermediate Similarity NPD6080 Approved
0.7474 Intermediate Similarity NPD6673 Approved
0.7474 Intermediate Similarity NPD6904 Approved
0.7447 Intermediate Similarity NPD3573 Approved
0.7374 Intermediate Similarity NPD7732 Phase 3
0.734 Intermediate Similarity NPD3618 Phase 1
0.734 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7128 Approved
0.7308 Intermediate Similarity NPD5739 Approved
0.7308 Intermediate Similarity NPD6675 Approved
0.7308 Intermediate Similarity NPD6402 Approved
0.7292 Intermediate Similarity NPD4753 Phase 2
0.7292 Intermediate Similarity NPD5328 Approved
0.7283 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD4221 Approved
0.7283 Intermediate Similarity NPD4223 Phase 3
0.7273 Intermediate Similarity NPD7115 Discovery
0.7273 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD5778 Approved
0.7245 Intermediate Similarity NPD5779 Approved
0.7234 Intermediate Similarity NPD5329 Approved
0.7228 Intermediate Similarity NPD7638 Approved
0.7193 Intermediate Similarity NPD8328 Phase 3
0.7188 Intermediate Similarity NPD5208 Approved
0.717 Intermediate Similarity NPD7320 Approved
0.717 Intermediate Similarity NPD6881 Approved
0.717 Intermediate Similarity NPD6899 Approved
0.7157 Intermediate Similarity NPD7640 Approved
0.7157 Intermediate Similarity NPD7639 Approved
0.7143 Intermediate Similarity NPD6079 Approved
0.7143 Intermediate Similarity NPD5281 Approved
0.7143 Intermediate Similarity NPD5284 Approved
0.7143 Intermediate Similarity NPD6050 Approved
0.7143 Intermediate Similarity NPD5693 Phase 1
0.7128 Intermediate Similarity NPD4197 Approved
0.7117 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6372 Approved
0.7103 Intermediate Similarity NPD6373 Approved
0.7075 Intermediate Similarity NPD5697 Approved
0.7075 Intermediate Similarity NPD6412 Phase 2
0.7075 Intermediate Similarity NPD5701 Approved
0.7041 Intermediate Similarity NPD5692 Phase 3
0.7037 Intermediate Similarity NPD6883 Approved
0.7037 Intermediate Similarity NPD7290 Approved
0.7037 Intermediate Similarity NPD7102 Approved
0.7033 Intermediate Similarity NPD3617 Approved
0.7021 Intermediate Similarity NPD4788 Approved
0.7009 Intermediate Similarity NPD6011 Approved
0.6989 Remote Similarity NPD5369 Approved
0.6979 Remote Similarity NPD4623 Approved
0.6979 Remote Similarity NPD5279 Phase 3
0.6979 Remote Similarity NPD5205 Approved
0.6979 Remote Similarity NPD4690 Approved
0.6979 Remote Similarity NPD4519 Discontinued
0.6979 Remote Similarity NPD4689 Approved
0.6979 Remote Similarity NPD4688 Approved
0.6979 Remote Similarity NPD4138 Approved
0.6979 Remote Similarity NPD4693 Phase 3
0.6972 Remote Similarity NPD8130 Phase 1
0.6972 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6617 Approved
0.6972 Remote Similarity NPD6869 Approved
0.6972 Remote Similarity NPD6649 Approved
0.6972 Remote Similarity NPD6847 Approved
0.6972 Remote Similarity NPD6650 Approved
0.697 Remote Similarity NPD7637 Suspended
0.697 Remote Similarity NPD5694 Approved
0.6944 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6012 Approved
0.6944 Remote Similarity NPD6013 Approved
0.6944 Remote Similarity NPD6014 Approved
0.6931 Remote Similarity NPD4629 Approved
0.6931 Remote Similarity NPD5210 Approved
0.6909 Remote Similarity NPD8297 Approved
0.6909 Remote Similarity NPD6882 Approved
0.69 Remote Similarity NPD4202 Approved
0.6893 Remote Similarity NPD4225 Approved
0.6889 Remote Similarity NPD7339 Approved
0.6889 Remote Similarity NPD6942 Approved
0.6869 Remote Similarity NPD5207 Approved
0.6863 Remote Similarity NPD5221 Approved
0.6863 Remote Similarity NPD4697 Phase 3
0.6863 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5222 Approved
0.6832 Remote Similarity NPD6001 Approved
0.6822 Remote Similarity NPD6008 Approved
0.6813 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5690 Phase 2
0.6804 Remote Similarity NPD4694 Approved
0.6804 Remote Similarity NPD5280 Approved
0.6796 Remote Similarity NPD5173 Approved
0.6796 Remote Similarity NPD4755 Approved
0.6768 Remote Similarity NPD6051 Approved
0.6744 Remote Similarity NPD4224 Phase 2
0.6742 Remote Similarity NPD6081 Approved
0.6742 Remote Similarity NPD5777 Approved
0.6737 Remote Similarity NPD4270 Approved
0.6737 Remote Similarity NPD4269 Approved
0.6726 Remote Similarity NPD6868 Approved
0.6705 Remote Similarity NPD4137 Phase 3
0.6703 Remote Similarity NPD8039 Approved
0.6702 Remote Similarity NPD7525 Registered
0.6701 Remote Similarity NPD1694 Approved
0.67 Remote Similarity NPD5785 Approved
0.6697 Remote Similarity NPD6686 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
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7736 Approved
0.6638 Remote Similarity NPD6319 Approved
0.6636 Remote Similarity NPD6052 Approved
0.6633 Remote Similarity NPD5786 Approved
0.6632 Remote Similarity NPD4139 Approved
0.6632 Remote Similarity NPD4692 Approved
0.663 Remote Similarity NPD6117 Approved
0.6629 Remote Similarity NPD4691 Approved
0.6629 Remote Similarity NPD4747 Approved
0.6609 Remote Similarity NPD6335 Approved
0.6604 Remote Similarity NPD5223 Approved
0.6602 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5654 Approved
0.6596 Remote Similarity NPD4195 Approved
0.6593 Remote Similarity NPD4784 Approved
0.6593 Remote Similarity NPD4785 Approved
0.6593 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6591 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6274 Approved
0.6562 Remote Similarity NPD6435 Approved
0.6559 Remote Similarity NPD6116 Phase 1
0.6556 Remote Similarity NPD4243 Approved
0.6555 Remote Similarity NPD7492 Approved
0.6552 Remote Similarity NPD7101 Approved
0.6552 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD6858 Approved
0.6549 Remote Similarity NPD7094 Approved
0.6549 Remote Similarity NPD4632 Approved
0.6545 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5226 Approved
0.6542 Remote Similarity NPD7632 Discontinued
0.6542 Remote Similarity NPD5225 Approved
0.6542 Remote Similarity NPD5224 Approved
0.6542 Remote Similarity NPD5211 Phase 2
0.6542 Remote Similarity NPD4633 Approved
0.6531 Remote Similarity NPD5363 Approved
0.6526 Remote Similarity NPD4252 Approved
0.6522 Remote Similarity NPD3702 Approved
0.6522 Remote Similarity NPD6317 Approved
0.6505 Remote Similarity NPD5282 Discontinued
0.65 Remote Similarity NPD6616 Approved
0.6496 Remote Similarity NPD6059 Approved
0.6496 Remote Similarity NPD6054 Approved
0.6495 Remote Similarity NPD7154 Phase 3
0.6495 Remote Similarity NPD5362 Discontinued
0.6489 Remote Similarity NPD6115 Approved
0.6489 Remote Similarity NPD6697 Approved
0.6489 Remote Similarity NPD6114 Approved
0.6489 Remote Similarity NPD6118 Approved
0.6481 Remote Similarity NPD4754 Approved
0.6481 Remote Similarity NPD5175 Approved
0.6481 Remote Similarity NPD5174 Approved
0.6476 Remote Similarity NPD5959 Approved

Structure

External Identifiers

PubChem CID   44559544
ChEMBL   CHEMBL479532
ZINC  

Physicochemical Properties

Molecular Weight:  498.33
ALogP:  1.5279
MLogP:  4.32
XLogP:  8.26
# Rotatable Bonds:  11
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  36

Download Data

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