Natural Product: NPC472940

Natural Product ID:  NPC472940
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O4
Standard InCHIKey:  HZCCGGOBXSVZRJ-XRLJWPMHSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24,31-32H,7-8,10-18H2,1-6H3/t19-,21-,24+,28-,29-,30+/m1/s1
Canonical SMILES:  OCC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO
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
NPO33020 ganoderma leucocontextum Species Ganodermataceae Eukaryota fruiting bodies Tibet, China PMID[26287401]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT306 Cell Line PC-3 Homo sapiens IC50 > 200000 nM 17958396
NPT1088 Individual Protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase Sus scrofa IC50 = 12600 nM 1919590
NPT111 Cell Line K562 Homo sapiens IC50 = 41600 nM 19140696
NPT2 Others Unspecified IC50 > 50000 nM 2553871

  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 NPC472940 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
1.0 High Similarity NPC472931
0.9747 High Similarity NPC41539
0.9136 High Similarity NPC311092
0.9036 High Similarity NPC8571
0.9012 High Similarity NPC4166
0.875 High Similarity NPC472930
0.8675 High Similarity NPC142253
0.8675 High Similarity NPC3511
0.8667 High Similarity NPC472941
0.8667 High Similarity NPC456
0.8588 High Similarity NPC474083
0.8556 High Similarity NPC472932
0.8537 High Similarity NPC90965
0.8471 Intermediate Similarity NPC473246
0.8471 Intermediate Similarity NPC87552
0.8452 Intermediate Similarity NPC472239
0.8427 Intermediate Similarity NPC473998
0.8427 Intermediate Similarity NPC23217
0.8415 Intermediate Similarity NPC82635
0.8409 Intermediate Similarity NPC309603
0.8409 Intermediate Similarity NPC473999
0.8387 Intermediate Similarity NPC51370
0.8387 Intermediate Similarity NPC287833
0.8372 Intermediate Similarity NPC11711
0.8372 Intermediate Similarity NPC471224
0.8354 Intermediate Similarity NPC223187
0.8333 Intermediate Similarity NPC472942
0.8333 Intermediate Similarity NPC69454
0.8315 Intermediate Similarity NPC48010
0.8276 Intermediate Similarity NPC118648
0.8276 Intermediate Similarity NPC475022
0.8276 Intermediate Similarity NPC222613
0.8261 Intermediate Similarity NPC249954
0.8256 Intermediate Similarity NPC214043
0.8256 Intermediate Similarity NPC85774
0.8242 Intermediate Similarity NPC8993
0.8235 Intermediate Similarity NPC472867
0.8222 Intermediate Similarity NPC233116
0.8222 Intermediate Similarity NPC63748
0.8222 Intermediate Similarity NPC475806
0.8211 Intermediate Similarity NPC293753
0.8211 Intermediate Similarity NPC234892
0.8202 Intermediate Similarity NPC31985
0.8202 Intermediate Similarity NPC123912
0.8202 Intermediate Similarity NPC1015
0.8202 Intermediate Similarity NPC214387
0.8182 Intermediate Similarity NPC99909
0.8161 Intermediate Similarity NPC469948
0.8161 Intermediate Similarity NPC123319
0.8161 Intermediate Similarity NPC94531
0.8161 Intermediate Similarity NPC311702
0.8161 Intermediate Similarity NPC60350
0.8152 Intermediate Similarity NPC318282
0.8152 Intermediate Similarity NPC297199
0.8152 Intermediate Similarity NPC37646
0.8152 Intermediate Similarity NPC469995
0.8152 Intermediate Similarity NPC259286
0.8152 Intermediate Similarity NPC174948
0.8152 Intermediate Similarity NPC173875
0.8132 Intermediate Similarity NPC233118
0.8132 Intermediate Similarity NPC474736
0.8111 Intermediate Similarity NPC69622
0.8111 Intermediate Similarity NPC477149
0.8111 Intermediate Similarity NPC477147
0.8095 Intermediate Similarity NPC472490
0.8095 Intermediate Similarity NPC170793
0.809 Intermediate Similarity NPC471722
0.8085 Intermediate Similarity NPC197386
0.8085 Intermediate Similarity NPC235464
0.8085 Intermediate Similarity NPC166745
0.8072 Intermediate Similarity NPC91665
0.8068 Intermediate Similarity NPC469994
0.8068 Intermediate Similarity NPC474778
0.8068 Intermediate Similarity NPC72133
0.8068 Intermediate Similarity NPC145879
0.8068 Intermediate Similarity NPC474733
0.8068 Intermediate Similarity NPC474732
0.8068 Intermediate Similarity NPC31564
0.8065 Intermediate Similarity NPC3772
0.8065 Intermediate Similarity NPC243525
0.8065 Intermediate Similarity NPC40765
0.8065 Intermediate Similarity NPC328371
0.8046 Intermediate Similarity NPC237712
0.8046 Intermediate Similarity NPC178025
0.8046 Intermediate Similarity NPC16287
0.8046 Intermediate Similarity NPC181743
0.8025 Intermediate Similarity NPC470044
0.8025 Intermediate Similarity NPC474228
0.8025 Intermediate Similarity NPC303613
0.8025 Intermediate Similarity NPC470045
0.8 Intermediate Similarity NPC86319
0.8 Intermediate Similarity NPC159577
0.8 Intermediate Similarity NPC477943
0.8 Intermediate Similarity NPC2983
0.8 Intermediate Similarity NPC275740
0.8 Intermediate Similarity NPC282593
0.8 Intermediate Similarity NPC472478
0.8 Intermediate Similarity NPC310010
0.8 Intermediate Similarity NPC35734
0.8 Intermediate Similarity NPC326627
0.8 Intermediate Similarity NPC307176
0.7979 Intermediate Similarity NPC156546
0.7979 Intermediate Similarity NPC320306
0.7979 Intermediate Similarity NPC121339
0.7979 Intermediate Similarity NPC122294
0.7979 Intermediate Similarity NPC106557
0.7978 Intermediate Similarity NPC58063
0.7978 Intermediate Similarity NPC317590
0.7978 Intermediate Similarity NPC90652
0.7978 Intermediate Similarity NPC93778
0.7978 Intermediate Similarity NPC136948
0.7978 Intermediate Similarity NPC287079
0.7978 Intermediate Similarity NPC475740
0.7978 Intermediate Similarity NPC136548
0.7959 Intermediate Similarity NPC472935
0.7957 Intermediate Similarity NPC271195
0.7957 Intermediate Similarity NPC476174
0.7938 Intermediate Similarity NPC111323
0.7931 Intermediate Similarity NPC279639
0.7931 Intermediate Similarity NPC470015
0.7931 Intermediate Similarity NPC168188
0.7931 Intermediate Similarity NPC3856
0.7917 Intermediate Similarity NPC472924
0.7912 Intermediate Similarity NPC191684
0.7912 Intermediate Similarity NPC320026
0.7912 Intermediate Similarity NPC129913
0.7907 Intermediate Similarity NPC116797
0.7901 Intermediate Similarity NPC115023
0.7895 Intermediate Similarity NPC16021
0.7895 Intermediate Similarity NPC147954
0.7895 Intermediate Similarity NPC471717
0.7889 Intermediate Similarity NPC470417
0.7889 Intermediate Similarity NPC131470
0.7889 Intermediate Similarity NPC44181
0.7889 Intermediate Similarity NPC143767
0.7879 Intermediate Similarity NPC185
0.7875 Intermediate Similarity NPC139397
0.7872 Intermediate Similarity NPC29152
0.7872 Intermediate Similarity NPC117133
0.7849 Intermediate Similarity NPC469406
0.7849 Intermediate Similarity NPC184870
0.7849 Intermediate Similarity NPC318332
0.7849 Intermediate Similarity NPC474690
0.7841 Intermediate Similarity NPC164577
0.7841 Intermediate Similarity NPC58841
0.7841 Intermediate Similarity NPC230527
0.7841 Intermediate Similarity NPC321187
0.7841 Intermediate Similarity NPC82902
0.7841 Intermediate Similarity NPC59453
0.7841 Intermediate Similarity NPC476412
0.7841 Intermediate Similarity NPC221758
0.7841 Intermediate Similarity NPC320801
0.7841 Intermediate Similarity NPC7927
0.7841 Intermediate Similarity NPC161423
0.7841 Intermediate Similarity NPC329043
0.7841 Intermediate Similarity NPC227064
0.7841 Intermediate Similarity NPC165064
0.7841 Intermediate Similarity NPC209882
0.7835 Intermediate Similarity NPC204450
0.7835 Intermediate Similarity NPC87351
0.7835 Intermediate Similarity NPC195290
0.7835 Intermediate Similarity NPC473424
0.7831 Intermediate Similarity NPC469803
0.7826 Intermediate Similarity NPC19114
0.7826 Intermediate Similarity NPC204341
0.7816 Intermediate Similarity NPC469799
0.7816 Intermediate Similarity NPC469805
0.7816 Intermediate Similarity NPC469806
0.7816 Intermediate Similarity NPC320514
0.7816 Intermediate Similarity NPC469804
0.7812 Intermediate Similarity NPC307954
0.7812 Intermediate Similarity NPC299971
0.7812 Intermediate Similarity NPC154072
0.7812 Intermediate Similarity NPC327431
0.7812 Intermediate Similarity NPC144660
0.7805 Intermediate Similarity NPC180015
0.7805 Intermediate Similarity NPC56747
0.7805 Intermediate Similarity NPC109576
0.7805 Intermediate Similarity NPC251705
0.7805 Intermediate Similarity NPC130016
0.7802 Intermediate Similarity NPC262043
0.7802 Intermediate Similarity NPC186688
0.7802 Intermediate Similarity NPC26959
0.7802 Intermediate Similarity NPC268406
0.78 Intermediate Similarity NPC295244
0.7791 Intermediate Similarity NPC474509
0.7791 Intermediate Similarity NPC2482
0.7789 Intermediate Similarity NPC43747
0.7778 Intermediate Similarity NPC260040
0.7778 Intermediate Similarity NPC251929
0.7778 Intermediate Similarity NPC2634
0.7778 Intermediate Similarity NPC265782
0.7778 Intermediate Similarity NPC476293
0.7778 Intermediate Similarity NPC96496
0.7766 Intermediate Similarity NPC180950
0.7765 Intermediate Similarity NPC469996
0.7765 Intermediate Similarity NPC470052
0.7755 Intermediate Similarity NPC236390
0.7755 Intermediate Similarity NPC249187
0.7755 Intermediate Similarity NPC311612

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472940 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
0.8148 Intermediate Similarity NPD5733 Approved
0.8 Intermediate Similarity NPD4753 Phase 2
0.8 Intermediate Similarity NPD4747 Approved
0.7957 Intermediate Similarity NPD5210 Approved
0.7957 Intermediate Similarity NPD4629 Approved
0.7927 Intermediate Similarity NPD4687 Approved
0.7901 Intermediate Similarity NPD5276 Approved
0.7875 Intermediate Similarity NPD4137 Phase 3
0.7865 Intermediate Similarity NPD5279 Phase 3
0.7841 Intermediate Similarity NPD3665 Phase 1
0.7841 Intermediate Similarity NPD3133 Approved
0.7841 Intermediate Similarity NPD4786 Approved
0.7841 Intermediate Similarity NPD3666 Approved
0.7802 Intermediate Similarity NPD5328 Approved
0.7778 Intermediate Similarity NPD4691 Approved
0.7667 Intermediate Similarity NPD3618 Phase 1
0.7634 Intermediate Similarity NPD6079 Approved
0.7614 Intermediate Similarity NPD3667 Approved
0.7614 Intermediate Similarity NPD4221 Approved
0.7614 Intermediate Similarity NPD4223 Phase 3
0.7604 Intermediate Similarity NPD6083 Phase 2
0.7604 Intermediate Similarity NPD6084 Phase 2
0.7579 Intermediate Similarity NPD5695 Phase 3
0.7556 Intermediate Similarity NPD5329 Approved
0.7526 Intermediate Similarity NPD5696 Approved
0.75 Intermediate Similarity NPD4058 Approved
0.7475 Intermediate Similarity NPD5211 Phase 2
0.7473 Intermediate Similarity NPD5280 Approved
0.7473 Intermediate Similarity NPD4694 Approved
0.7473 Intermediate Similarity NPD5690 Phase 2
0.7444 Intermediate Similarity NPD4197 Approved
0.7423 Intermediate Similarity NPD4755 Approved
0.7368 Intermediate Similarity NPD4202 Approved
0.7356 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD5141 Approved
0.732 Intermediate Similarity NPD5221 Approved
0.732 Intermediate Similarity NPD5222 Approved
0.732 Intermediate Similarity NPD4697 Phase 3
0.732 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6672 Approved
0.7312 Intermediate Similarity NPD5737 Approved
0.7283 Intermediate Similarity NPD4138 Approved
0.7283 Intermediate Similarity NPD4689 Approved
0.7283 Intermediate Similarity NPD4690 Approved
0.7283 Intermediate Similarity NPD5205 Approved
0.7283 Intermediate Similarity NPD4623 Approved
0.7283 Intermediate Similarity NPD4688 Approved
0.7283 Intermediate Similarity NPD4519 Discontinued
0.7283 Intermediate Similarity NPD4693 Phase 3
0.7273 Intermediate Similarity NPD5286 Approved
0.7273 Intermediate Similarity NPD4700 Approved
0.7273 Intermediate Similarity NPD4696 Approved
0.7273 Intermediate Similarity NPD5285 Approved
0.7263 Intermediate Similarity NPD5281 Approved
0.7263 Intermediate Similarity NPD5284 Approved
0.7245 Intermediate Similarity NPD5173 Approved
0.7188 Intermediate Similarity NPD6399 Phase 3
0.7159 Intermediate Similarity NPD3617 Approved
0.7143 Intermediate Similarity NPD4788 Approved
0.7129 Intermediate Similarity NPD5226 Approved
0.7129 Intermediate Similarity NPD4633 Approved
0.7129 Intermediate Similarity NPD5224 Approved
0.7129 Intermediate Similarity NPD5225 Approved
0.7097 Intermediate Similarity NPD6684 Approved
0.7097 Intermediate Similarity NPD5330 Approved
0.7097 Intermediate Similarity NPD6409 Approved
0.7097 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7521 Approved
0.7097 Intermediate Similarity NPD7334 Approved
0.7097 Intermediate Similarity NPD7146 Approved
0.7087 Intermediate Similarity NPD6402 Approved
0.7087 Intermediate Similarity NPD7128 Approved
0.7087 Intermediate Similarity NPD6675 Approved
0.7087 Intermediate Similarity NPD5739 Approved
0.7083 Intermediate Similarity NPD7515 Phase 2
0.7065 Intermediate Similarity NPD3668 Phase 3
0.7059 Intermediate Similarity NPD5174 Approved
0.7059 Intermediate Similarity NPD5175 Approved
0.703 Intermediate Similarity NPD5223 Approved
0.7 Intermediate Similarity NPD4695 Discontinued
0.6979 Remote Similarity NPD4096 Approved
0.6957 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6952 Remote Similarity NPD6881 Approved
0.6952 Remote Similarity NPD7320 Approved
0.6952 Remote Similarity NPD6899 Approved
0.6947 Remote Similarity NPD6903 Approved
0.6947 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6404 Discontinued
0.6931 Remote Similarity NPD7640 Approved
0.6931 Remote Similarity NPD7639 Approved
0.6923 Remote Similarity NPD4139 Approved
0.6923 Remote Similarity NPD4768 Approved
0.6923 Remote Similarity NPD4767 Approved
0.6923 Remote Similarity NPD4692 Approved
0.6909 Remote Similarity NPD7115 Discovery
0.6907 Remote Similarity NPD6050 Approved
0.6893 Remote Similarity NPD4754 Approved
0.6889 Remote Similarity NPD4195 Approved
0.6887 Remote Similarity NPD6372 Approved
0.6887 Remote Similarity NPD6373 Approved
0.6875 Remote Similarity NPD6904 Approved
0.6875 Remote Similarity NPD6673 Approved
0.6875 Remote Similarity NPD6080 Approved
0.6857 Remote Similarity NPD5697 Approved
0.6857 Remote Similarity NPD6412 Phase 2
0.6857 Remote Similarity NPD5701 Approved
0.6837 Remote Similarity NPD5133 Approved
0.6832 Remote Similarity NPD7638 Approved
0.6822 Remote Similarity NPD7290 Approved
0.6822 Remote Similarity NPD6883 Approved
0.6822 Remote Similarity NPD7102 Approved
0.6818 Remote Similarity NPD6942 Approved
0.6818 Remote Similarity NPD7339 Approved
0.6813 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5692 Phase 3
0.6796 Remote Similarity NPD5091 Approved
0.6792 Remote Similarity NPD4730 Approved
0.6792 Remote Similarity NPD4729 Approved
0.6792 Remote Similarity NPD5128 Approved
0.6771 Remote Similarity NPD4518 Approved
0.6768 Remote Similarity NPD7748 Approved
0.6759 Remote Similarity NPD6617 Approved
0.6759 Remote Similarity NPD6869 Approved
0.6759 Remote Similarity NPD6649 Approved
0.6759 Remote Similarity NPD6847 Approved
0.6759 Remote Similarity NPD6650 Approved
0.6759 Remote Similarity NPD8130 Phase 1
0.6735 Remote Similarity NPD5694 Approved
0.6735 Remote Similarity NPD7637 Suspended
0.6735 Remote Similarity NPD5693 Phase 1
0.6729 Remote Similarity NPD6014 Approved
0.6729 Remote Similarity NPD6013 Approved
0.6729 Remote Similarity NPD6012 Approved
0.6701 Remote Similarity NPD7285 Clinical (unspecified phase)
0.67 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6882 Approved
0.6697 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6925 Approved
0.6667 Remote Similarity NPD5776 Phase 2
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD4634 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6636 Remote Similarity NPD6011 Approved
0.6636 Remote Similarity NPD5168 Approved
0.6634 Remote Similarity NPD7614 Phase 1
0.6633 Remote Similarity NPD5785 Approved
0.6633 Remote Similarity NPD5207 Approved
0.6632 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5363 Approved
0.663 Remote Similarity NPD7525 Registered
0.663 Remote Similarity NPD7514 Phase 3
0.6606 Remote Similarity NPD5215 Approved
0.6606 Remote Similarity NPD5217 Approved
0.6606 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5216 Approved
0.6598 Remote Similarity NPD5208 Approved
0.6596 Remote Similarity NPD5362 Discontinued
0.6593 Remote Similarity NPD7145 Approved
0.6569 Remote Similarity NPD7902 Approved
0.6562 Remote Similarity NPD6098 Approved
0.6559 Remote Similarity NPD8028 Phase 2
0.6559 Remote Similarity NPD6902 Approved
0.6556 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6929 Approved
0.6514 Remote Similarity NPD5135 Approved
0.6514 Remote Similarity NPD5169 Approved
0.6514 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6495 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4270 Approved
0.6489 Remote Similarity NPD4269 Approved
0.6489 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4243 Approved
0.6458 Remote Similarity NPD1696 Phase 3
0.6455 Remote Similarity NPD5127 Approved
0.6452 Remote Similarity NPD4252 Approved
0.6452 Remote Similarity NPD6931 Approved
0.6452 Remote Similarity NPD6930 Phase 2
0.6452 Remote Similarity NPD7332 Phase 2
0.6444 Remote Similarity NPD8264 Approved
0.6437 Remote Similarity NPD6923 Approved
0.6437 Remote Similarity NPD6922 Approved
0.6436 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6695 Phase 3
0.642 Remote Similarity NPD287 Approved
0.6413 Remote Similarity NPD7322 Clinical (unspecified phase)
0.64 Remote Similarity NPD6411 Approved
0.6396 Remote Similarity NPD6053 Discontinued
0.6373 Remote Similarity NPD5654 Approved
0.6372 Remote Similarity NPD6274 Approved
0.6372 Remote Similarity NPD6868 Approved
0.6364 Remote Similarity NPD7144 Approved
0.6364 Remote Similarity NPD7143 Approved
0.6364 Remote Similarity NPD4789 Approved
0.6354 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6354 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6353 Remote Similarity NPD3171 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594158
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  1.7088
MLogP:  4.32
XLogP:  4.923
# Rotatable Bonds:  14
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

Download Data

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