Natural Product: NPC472488

Natural Product ID:  NPC472488
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H28O2
Standard InCHIKey:  CHRNFZZARNTWCF-KQEPKPNTSA-N
Standard InCHI:  InChI=1S/C20H28O2/c1-12-17(21)14-11-20(12,22)10-13-6-7-15-18(2,3)8-5-9-19(15,4)16(13)14/h14-15,22H,1,5-11H2,2-4H3/t14-,15+,19+,20+/m0/s1
Canonical SMILES:  O=C1[C@H]2C[C@](C1=C)(O)CC1=C2[C@]2(C)CCCC([C@H]2CC1)(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
NPO32442 jungermannia fauriana Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 6300 nM 16933872
NPT111 Cell Line K562 Homo sapiens IC50 = 2200 nM 21592801
NPT858 Cell Line LNCaP Homo sapiens IC50 = 2800 nM Open TG-GATES in vivo data: Pathology
NPT90 Cell Line DU-145 Homo sapiens IC50 = 3200 nM 21984958
NPT2 Others Unspecified IC50 = 2400 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 2900 nM 18327911
NPT2 Others Unspecified IC50 = 1900 nM 20719524
NPT2 Others Unspecified IC50 = 2200 nM 23558238
NPT2 Others Unspecified IC50 = 1600 nM 26046820
NPT114 Cell Line LoVo Homo sapiens IC50 = 2300 nM 16872155
NPT2 Others Unspecified IC50 = 2700 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2300 nM 23282106
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 = 2600 nM 26046820
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 3400 nM 17844994

  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 NPC472488 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
0.9639 High Similarity NPC472489
0.9512 High Similarity NPC472479
0.9176 High Similarity NPC472477
0.9176 High Similarity NPC472475
0.9146 High Similarity NPC472492
0.907 High Similarity NPC472476
0.8824 High Similarity NPC472491
0.8824 High Similarity NPC472494
0.881 High Similarity NPC472480
0.8721 High Similarity NPC472493
0.8506 High Similarity NPC472482
0.8506 High Similarity NPC472484
0.8506 High Similarity NPC472481
0.8409 Intermediate Similarity NPC472483
0.8409 Intermediate Similarity NPC471724
0.8214 Intermediate Similarity NPC472490
0.8193 Intermediate Similarity NPC266193
0.8193 Intermediate Similarity NPC257666
0.814 Intermediate Similarity NPC193347
0.8118 Intermediate Similarity NPC469637
0.8118 Intermediate Similarity NPC476809
0.8111 Intermediate Similarity NPC472971
0.8111 Intermediate Similarity NPC472970
0.8095 Intermediate Similarity NPC207772
0.8065 Intermediate Similarity NPC472485
0.8023 Intermediate Similarity NPC150506
0.8 Intermediate Similarity NPC471791
0.8 Intermediate Similarity NPC328313
0.8 Intermediate Similarity NPC170394
0.8 Intermediate Similarity NPC72397
0.8 Intermediate Similarity NPC58271
0.8 Intermediate Similarity NPC471722
0.8 Intermediate Similarity NPC48107
0.8 Intermediate Similarity NPC471793
0.7979 Intermediate Similarity NPC117133
0.7978 Intermediate Similarity NPC472974
0.7978 Intermediate Similarity NPC72133
0.7955 Intermediate Similarity NPC144258
0.7938 Intermediate Similarity NPC473424
0.7935 Intermediate Similarity NPC73457
0.7935 Intermediate Similarity NPC475806
0.7935 Intermediate Similarity NPC233116
0.7935 Intermediate Similarity NPC204341
0.7935 Intermediate Similarity NPC63748
0.7931 Intermediate Similarity NPC260956
0.7912 Intermediate Similarity NPC119416
0.7912 Intermediate Similarity NPC309603
0.7912 Intermediate Similarity NPC473999
0.7912 Intermediate Similarity NPC262043
0.7907 Intermediate Similarity NPC108955
0.7907 Intermediate Similarity NPC472478
0.7889 Intermediate Similarity NPC165895
0.7889 Intermediate Similarity NPC136948
0.7889 Intermediate Similarity NPC471792
0.7882 Intermediate Similarity NPC476808
0.7882 Intermediate Similarity NPC275494
0.7882 Intermediate Similarity NPC19443
0.7882 Intermediate Similarity NPC471409
0.7872 Intermediate Similarity NPC271195
0.7872 Intermediate Similarity NPC259286
0.7872 Intermediate Similarity NPC197158
0.7872 Intermediate Similarity NPC471624
0.7865 Intermediate Similarity NPC102292
0.7865 Intermediate Similarity NPC474083
0.7857 Intermediate Similarity NPC92080
0.7857 Intermediate Similarity NPC76966
0.7857 Intermediate Similarity NPC186554
0.7857 Intermediate Similarity NPC472305
0.7849 Intermediate Similarity NPC474807
0.7849 Intermediate Similarity NPC134826
0.7849 Intermediate Similarity NPC243866
0.7849 Intermediate Similarity NPC109305
0.7849 Intermediate Similarity NPC69454
0.7841 Intermediate Similarity NPC470015
0.7841 Intermediate Similarity NPC471036
0.7841 Intermediate Similarity NPC291320
0.7841 Intermediate Similarity NPC477373
0.7841 Intermediate Similarity NPC168188
0.7835 Intermediate Similarity NPC473514
0.7826 Intermediate Similarity NPC69622
0.7826 Intermediate Similarity NPC48010
0.7826 Intermediate Similarity NPC191684
0.7826 Intermediate Similarity NPC469400
0.7816 Intermediate Similarity NPC201912
0.7816 Intermediate Similarity NPC116797
0.7816 Intermediate Similarity NPC473217
0.7816 Intermediate Similarity NPC55869
0.7816 Intermediate Similarity NPC38350
0.7816 Intermediate Similarity NPC164210
0.7805 Intermediate Similarity NPC84790
0.7805 Intermediate Similarity NPC144627
0.7802 Intermediate Similarity NPC143767
0.7802 Intermediate Similarity NPC474677
0.7802 Intermediate Similarity NPC53911
0.7802 Intermediate Similarity NPC131470
0.7791 Intermediate Similarity NPC215843
0.7791 Intermediate Similarity NPC7232
0.7789 Intermediate Similarity NPC249954
0.7778 Intermediate Similarity NPC222613
0.7778 Intermediate Similarity NPC194417
0.7778 Intermediate Similarity NPC145879
0.7778 Intermediate Similarity NPC469994
0.7778 Intermediate Similarity NPC475022
0.7778 Intermediate Similarity NPC31564
0.7778 Intermediate Similarity NPC474778
0.7778 Intermediate Similarity NPC474732
0.7778 Intermediate Similarity NPC474733
0.7778 Intermediate Similarity NPC118648
0.7766 Intermediate Similarity NPC8993
0.7765 Intermediate Similarity NPC34110
0.7753 Intermediate Similarity NPC59453
0.7753 Intermediate Similarity NPC473246
0.7753 Intermediate Similarity NPC221758
0.7742 Intermediate Similarity NPC473998
0.7732 Intermediate Similarity NPC154072
0.7727 Intermediate Similarity NPC46881
0.7727 Intermediate Similarity NPC151519
0.7723 Intermediate Similarity NPC65941
0.7717 Intermediate Similarity NPC86319
0.7717 Intermediate Similarity NPC2983
0.7717 Intermediate Similarity NPC275740
0.7717 Intermediate Similarity NPC76879
0.7711 Intermediate Similarity NPC247586
0.7708 Intermediate Similarity NPC320306
0.7701 Intermediate Similarity NPC45495
0.7692 Intermediate Similarity NPC272039
0.7692 Intermediate Similarity NPC475740
0.7692 Intermediate Similarity NPC136548
0.7692 Intermediate Similarity NPC138756
0.7692 Intermediate Similarity NPC220930
0.7692 Intermediate Similarity NPC58063
0.7684 Intermediate Similarity NPC297199
0.7684 Intermediate Similarity NPC472932
0.7677 Intermediate Similarity NPC311612
0.7677 Intermediate Similarity NPC111323
0.7677 Intermediate Similarity NPC159442
0.7674 Intermediate Similarity NPC189485
0.7674 Intermediate Similarity NPC30321
0.7674 Intermediate Similarity NPC178852
0.7667 Intermediate Similarity NPC179006
0.7667 Intermediate Similarity NPC123319
0.7667 Intermediate Similarity NPC190704
0.7667 Intermediate Similarity NPC29447
0.7667 Intermediate Similarity NPC471224
0.7667 Intermediate Similarity NPC474853
0.7667 Intermediate Similarity NPC311702
0.7667 Intermediate Similarity NPC471034
0.7667 Intermediate Similarity NPC474218
0.7667 Intermediate Similarity NPC469948
0.7667 Intermediate Similarity NPC94531
0.766 Intermediate Similarity NPC472942
0.766 Intermediate Similarity NPC250575
0.766 Intermediate Similarity NPC474736
0.7653 Intermediate Similarity NPC81530
0.7647 Intermediate Similarity NPC151622
0.7647 Intermediate Similarity NPC7629
0.764 Intermediate Similarity NPC69279
0.764 Intermediate Similarity NPC83569
0.764 Intermediate Similarity NPC477852
0.764 Intermediate Similarity NPC49019
0.7634 Intermediate Similarity NPC80401
0.7634 Intermediate Similarity NPC149761
0.7634 Intermediate Similarity NPC183283
0.7634 Intermediate Similarity NPC261994
0.7634 Intermediate Similarity NPC470378
0.7634 Intermediate Similarity NPC180849
0.7629 Intermediate Similarity NPC186810
0.7629 Intermediate Similarity NPC166745
0.7629 Intermediate Similarity NPC103051
0.7629 Intermediate Similarity NPC197386
0.7629 Intermediate Similarity NPC235464
0.7624 Intermediate Similarity NPC472925
0.7614 Intermediate Similarity NPC477372
0.7614 Intermediate Similarity NPC226068
0.7614 Intermediate Similarity NPC14151
0.7614 Intermediate Similarity NPC147066
0.7609 Intermediate Similarity NPC242864
0.7609 Intermediate Similarity NPC328539
0.7604 Intermediate Similarity NPC155676
0.7604 Intermediate Similarity NPC95565
0.7604 Intermediate Similarity NPC471463
0.76 Intermediate Similarity NPC96268
0.7586 Intermediate Similarity NPC477371
0.7582 Intermediate Similarity NPC55309
0.7582 Intermediate Similarity NPC20688
0.7582 Intermediate Similarity NPC28252
0.7582 Intermediate Similarity NPC470955
0.7582 Intermediate Similarity NPC89077
0.7582 Intermediate Similarity NPC94755
0.7582 Intermediate Similarity NPC51014
0.7579 Intermediate Similarity NPC166906
0.7579 Intermediate Similarity NPC292793
0.7576 Intermediate Similarity NPC87351
0.7576 Intermediate Similarity NPC136289
0.7576 Intermediate Similarity NPC293753
0.7576 Intermediate Similarity NPC477915
0.7558 Intermediate Similarity NPC97377
0.7558 Intermediate Similarity NPC106078
0.7558 Intermediate Similarity NPC471035
0.7558 Intermediate Similarity NPC212661

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472488 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
0.8391 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD5690 Phase 2
0.814 Intermediate Similarity NPD4221 Approved
0.814 Intermediate Similarity NPD4223 Phase 3
0.8023 Intermediate Similarity NPD4139 Approved
0.8023 Intermediate Similarity NPD4692 Approved
0.7978 Intermediate Similarity NPD4694 Approved
0.7978 Intermediate Similarity NPD5280 Approved
0.7955 Intermediate Similarity NPD4197 Approved
0.7865 Intermediate Similarity NPD5329 Approved
0.7778 Intermediate Similarity NPD4138 Approved
0.7778 Intermediate Similarity NPD3618 Phase 1
0.7778 Intermediate Similarity NPD4688 Approved
0.7778 Intermediate Similarity NPD5205 Approved
0.7778 Intermediate Similarity NPD4690 Approved
0.7778 Intermediate Similarity NPD4689 Approved
0.7778 Intermediate Similarity NPD4693 Phase 3
0.7753 Intermediate Similarity NPD4786 Approved
0.7742 Intermediate Similarity NPD5281 Approved
0.7742 Intermediate Similarity NPD5284 Approved
0.7727 Intermediate Similarity NPD3667 Approved
0.7674 Intermediate Similarity NPD3617 Approved
0.766 Intermediate Similarity NPD4202 Approved
0.7586 Intermediate Similarity NPD4195 Approved
0.7582 Intermediate Similarity NPD4623 Approved
0.7582 Intermediate Similarity NPD4519 Discontinued
0.7576 Intermediate Similarity NPD5211 Phase 2
0.7556 Intermediate Similarity NPD3665 Phase 1
0.7556 Intermediate Similarity NPD3133 Approved
0.7556 Intermediate Similarity NPD3666 Approved
0.7553 Intermediate Similarity NPD6079 Approved
0.7527 Intermediate Similarity NPD5328 Approved
0.7527 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD4629 Approved
0.75 Intermediate Similarity NPD4695 Discontinued
0.75 Intermediate Similarity NPD5210 Approved
0.7474 Intermediate Similarity NPD5133 Approved
0.7447 Intermediate Similarity NPD4096 Approved
0.7444 Intermediate Similarity NPD4788 Approved
0.7426 Intermediate Similarity NPD5141 Approved
0.7419 Intermediate Similarity NPD4518 Approved
0.7391 Intermediate Similarity NPD5279 Phase 3
0.7374 Intermediate Similarity NPD5285 Approved
0.7374 Intermediate Similarity NPD5286 Approved
0.7374 Intermediate Similarity NPD4696 Approved
0.7347 Intermediate Similarity NPD4755 Approved
0.732 Intermediate Similarity NPD5695 Phase 3
0.73 Intermediate Similarity NPD5223 Approved
0.7292 Intermediate Similarity NPD6399 Phase 3
0.7263 Intermediate Similarity NPD5207 Approved
0.7245 Intermediate Similarity NPD5222 Approved
0.7245 Intermediate Similarity NPD4697 Phase 3
0.7245 Intermediate Similarity NPD5221 Approved
0.7245 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD4633 Approved
0.7228 Intermediate Similarity NPD5224 Approved
0.7228 Intermediate Similarity NPD5226 Approved
0.7228 Intermediate Similarity NPD5225 Approved
0.72 Intermediate Similarity NPD4700 Approved
0.7174 Intermediate Similarity NPD3668 Phase 3
0.7172 Intermediate Similarity NPD5173 Approved
0.7157 Intermediate Similarity NPD5174 Approved
0.7157 Intermediate Similarity NPD5175 Approved
0.7156 Intermediate Similarity NPD7115 Discovery
0.7111 Intermediate Similarity NPD4748 Discontinued
0.71 Intermediate Similarity NPD5696 Approved
0.7083 Intermediate Similarity NPD5692 Phase 3
0.7075 Intermediate Similarity NPD4634 Approved
0.7059 Intermediate Similarity NPD4747 Approved
0.7059 Intermediate Similarity NPD5091 Approved
0.7059 Intermediate Similarity NPD4691 Approved
0.7053 Intermediate Similarity NPD5208 Approved
0.7041 Intermediate Similarity NPD6001 Approved
0.7024 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5360 Phase 3
0.7021 Intermediate Similarity NPD6098 Approved
0.7011 Intermediate Similarity NPD5733 Approved
0.7011 Intermediate Similarity NPD4785 Approved
0.7011 Intermediate Similarity NPD4784 Approved
0.7011 Intermediate Similarity NPD4687 Approved
0.701 Intermediate Similarity NPD5693 Phase 1
0.701 Intermediate Similarity NPD6050 Approved
0.701 Intermediate Similarity NPD5694 Approved
0.7 Intermediate Similarity NPD6083 Phase 2
0.7 Intermediate Similarity NPD6084 Phase 2
0.699 Remote Similarity NPD4754 Approved
0.6979 Remote Similarity NPD6904 Approved
0.6979 Remote Similarity NPD6080 Approved
0.6979 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6979 Remote Similarity NPD6673 Approved
0.6977 Remote Similarity NPD5276 Approved
0.6977 Remote Similarity NPD4243 Approved
0.697 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5697 Approved
0.6947 Remote Similarity NPD3573 Approved
0.6941 Remote Similarity NPD4137 Phase 3
0.6915 Remote Similarity NPD1696 Phase 3
0.6887 Remote Similarity NPD5128 Approved
0.6887 Remote Similarity NPD6899 Approved
0.6887 Remote Similarity NPD6011 Approved
0.6887 Remote Similarity NPD4729 Approved
0.6887 Remote Similarity NPD4730 Approved
0.6887 Remote Similarity NPD6881 Approved
0.6863 Remote Similarity NPD6404 Discontinued
0.6857 Remote Similarity NPD7128 Approved
0.6857 Remote Similarity NPD4767 Approved
0.6857 Remote Similarity NPD4768 Approved
0.6857 Remote Similarity NPD6402 Approved
0.6857 Remote Similarity NPD6675 Approved
0.6857 Remote Similarity NPD5739 Approved
0.6854 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6649 Approved
0.6852 Remote Similarity NPD6650 Approved
0.6842 Remote Similarity NPD7334 Approved
0.6842 Remote Similarity NPD5330 Approved
0.6842 Remote Similarity NPD6684 Approved
0.6842 Remote Similarity NPD7146 Approved
0.6842 Remote Similarity NPD7521 Approved
0.6842 Remote Similarity NPD6409 Approved
0.6837 Remote Similarity NPD7515 Phase 2
0.6822 Remote Similarity NPD6373 Approved
0.6822 Remote Similarity NPD6012 Approved
0.6822 Remote Similarity NPD6013 Approved
0.6822 Remote Similarity NPD6014 Approved
0.6822 Remote Similarity NPD6372 Approved
0.6818 Remote Similarity NPD4058 Approved
0.68 Remote Similarity NPD5654 Approved
0.6792 Remote Similarity NPD5701 Approved
0.6782 Remote Similarity NPD4758 Discontinued
0.6771 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5135 Approved
0.6759 Remote Similarity NPD6883 Approved
0.6759 Remote Similarity NPD5251 Approved
0.6759 Remote Similarity NPD5249 Phase 3
0.6759 Remote Similarity NPD5169 Approved
0.6759 Remote Similarity NPD5248 Approved
0.6759 Remote Similarity NPD5247 Approved
0.6759 Remote Similarity NPD7290 Approved
0.6759 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5250 Approved
0.6759 Remote Similarity NPD7102 Approved
0.6742 Remote Similarity NPD4190 Phase 3
0.6742 Remote Similarity NPD6942 Approved
0.6742 Remote Similarity NPD7339 Approved
0.6742 Remote Similarity NPD5275 Approved
0.6737 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7320 Approved
0.6701 Remote Similarity NPD6903 Approved
0.6701 Remote Similarity NPD5737 Approved
0.6701 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6672 Approved
0.67 Remote Similarity NPD7748 Approved
0.6698 Remote Similarity NPD6008 Approved
0.6697 Remote Similarity NPD6847 Approved
0.6697 Remote Similarity NPD5217 Approved
0.6697 Remote Similarity NPD6617 Approved
0.6697 Remote Similarity NPD5216 Approved
0.6697 Remote Similarity NPD6869 Approved
0.6697 Remote Similarity NPD8130 Phase 1
0.6697 Remote Similarity NPD5215 Approved
0.6697 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD5959 Approved
0.6667 Remote Similarity NPD7902 Approved
0.6636 Remote Similarity NPD6882 Approved
0.6636 Remote Similarity NPD8297 Approved
0.6628 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6602 Remote Similarity NPD4225 Approved
0.6591 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4224 Phase 2
0.6577 Remote Similarity NPD4632 Approved
0.6574 Remote Similarity NPD5168 Approved
0.6569 Remote Similarity NPD7614 Phase 1
0.6566 Remote Similarity NPD5785 Approved
0.6562 Remote Similarity NPD5363 Approved
0.6562 Remote Similarity NPD1694 Approved
0.6559 Remote Similarity NPD7525 Registered
0.6552 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7639 Approved
0.6538 Remote Similarity NPD7640 Approved
0.6522 Remote Similarity NPD6054 Approved
0.6522 Remote Similarity NPD6319 Approved
0.6518 Remote Similarity NPD5167 Approved
0.65 Remote Similarity NPD6411 Approved
0.65 Remote Similarity NPD8035 Phase 2
0.65 Remote Similarity NPD8034 Phase 2
0.6471 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6466 Remote Similarity NPD6015 Approved
0.6466 Remote Similarity NPD6016 Approved
0.646 Remote Similarity NPD6274 Approved
0.6442 Remote Similarity NPD7638 Approved
0.6421 Remote Similarity NPD4270 Approved
0.6421 Remote Similarity NPD4269 Approved
0.6421 Remote Similarity NPD4800 Clinical (unspecified phase)
0.641 Remote Similarity NPD5988 Approved
0.641 Remote Similarity NPD6370 Approved
0.6404 Remote Similarity NPD6009 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426496
ZINC  

Physicochemical Properties

Molecular Weight:  300.21
ALogP:  1.0287
MLogP:  3.44
XLogP:  3.762
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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