Natural Product: NPC317654

Natural Product ID:  NPC317654
Common Name:   (3S,3'as,6's,6As,6Bs,7'ar,9R,11As,11Br)-3-Hydroxy-3',6',10,11B-Tetramethylspiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[A]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[3,2-B]Pyridine]-11-One
IUPAC Name:   (3S,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Synonyms:  
Molecular Formula:   C27H39NO3
Standard InCHIKey:  CLEXYFLHGFJONT-WFJAZDIUSA-N
Standard InCHI:  InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16?,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
Canonical SMILES:  O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H](C4C)NC[C@H](C2)C)C1)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
NPO15848 Veratrum nigrum Species Melanthiaceae Eukaryota TCM_Taiwan*
NPO27004 Veratrum viride Species Melanthiaceae Eukaryota TCM_Taiwan*
NPO27267 Veratrum album Species Melanthiaceae Eukaryota TCM_Taiwan*
NPO29805 Veratrum grandiflo Species Melanthiaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set

  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 NPC317654 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 NPC96010
0.9256 High Similarity NPC478136
0.9138 High Similarity NPC28280
0.9138 High Similarity NPC304646
0.8952 High Similarity NPC478139
0.8095 Intermediate Similarity NPC478138
0.791 Intermediate Similarity NPC297058
0.7705 Intermediate Similarity NPC253645
0.7705 Intermediate Similarity NPC85001
0.7705 Intermediate Similarity NPC147835
0.7705 Intermediate Similarity NPC95920
0.7667 Intermediate Similarity NPC475239
0.7647 Intermediate Similarity NPC176012
0.7607 Intermediate Similarity NPC474164
0.7578 Intermediate Similarity NPC35037
0.7459 Intermediate Similarity NPC195841
0.7459 Intermediate Similarity NPC233256
0.744 Intermediate Similarity NPC79238
0.7236 Intermediate Similarity NPC212874
0.7236 Intermediate Similarity NPC477000
0.7236 Intermediate Similarity NPC477001
0.7188 Intermediate Similarity NPC478137
0.7177 Intermediate Similarity NPC60681
0.7165 Intermediate Similarity NPC474459
0.7154 Intermediate Similarity NPC98765
0.7153 Intermediate Similarity NPC201359
0.7143 Intermediate Similarity NPC218602
0.712 Intermediate Similarity NPC46981
0.7109 Intermediate Similarity NPC474452
0.7109 Intermediate Similarity NPC124358
0.7107 Intermediate Similarity NPC91604
0.7087 Intermediate Similarity NPC472313
0.7083 Intermediate Similarity NPC289140
0.7073 Intermediate Similarity NPC185530
0.7063 Intermediate Similarity NPC177064
0.7049 Intermediate Similarity NPC128698
0.7049 Intermediate Similarity NPC239768
0.704 Intermediate Similarity NPC86906
0.7016 Intermediate Similarity NPC26478
0.7 Intermediate Similarity NPC174117
0.6949 Remote Similarity NPC48010
0.6923 Remote Similarity NPC471722
0.6891 Remote Similarity NPC190442
0.688 Remote Similarity NPC36688
0.6875 Remote Similarity NPC175585
0.686 Remote Similarity NPC259286
0.6857 Remote Similarity NPC139585
0.685 Remote Similarity NPC476756
0.685 Remote Similarity NPC244982
0.685 Remote Similarity NPC144459
0.6838 Remote Similarity NPC475740
0.6833 Remote Similarity NPC69454
0.6833 Remote Similarity NPC229976
0.6825 Remote Similarity NPC119329
0.6822 Remote Similarity NPC63511
0.6807 Remote Similarity NPC84171
0.6803 Remote Similarity NPC249954
0.6788 Remote Similarity NPC296686
0.6777 Remote Similarity NPC471720
0.6774 Remote Similarity NPC201406
0.6772 Remote Similarity NPC230677
0.6759 Remote Similarity NPC180770
0.6759 Remote Similarity NPC302276
0.6752 Remote Similarity NPC474732
0.6752 Remote Similarity NPC72133
0.6752 Remote Similarity NPC222613
0.6752 Remote Similarity NPC474733
0.6752 Remote Similarity NPC145879
0.6752 Remote Similarity NPC118648
0.6752 Remote Similarity NPC470051
0.6752 Remote Similarity NPC31564
0.6752 Remote Similarity NPC470050
0.6752 Remote Similarity NPC474778
0.6752 Remote Similarity NPC475022
0.675 Remote Similarity NPC63748
0.675 Remote Similarity NPC233116
0.675 Remote Similarity NPC475806
0.6748 Remote Similarity NPC291634
0.6748 Remote Similarity NPC126815
0.6746 Remote Similarity NPC168575
0.6746 Remote Similarity NPC112009
0.6744 Remote Similarity NPC274895
0.6742 Remote Similarity NPC474181
0.673 Remote Similarity NPC473040
0.6724 Remote Similarity NPC473246
0.6723 Remote Similarity NPC275740
0.6723 Remote Similarity NPC309603
0.6723 Remote Similarity NPC1015
0.6723 Remote Similarity NPC473999
0.6723 Remote Similarity NPC86319
0.6723 Remote Similarity NPC31985
0.6721 Remote Similarity NPC271195
0.672 Remote Similarity NPC77703
0.6719 Remote Similarity NPC91034
0.6716 Remote Similarity NPC470276
0.6716 Remote Similarity NPC9714
0.6695 Remote Similarity NPC58063
0.6694 Remote Similarity NPC220111
0.6694 Remote Similarity NPC472930
0.6692 Remote Similarity NPC37116
0.6692 Remote Similarity NPC163314
0.6692 Remote Similarity NPC328052
0.6689 Remote Similarity NPC36463
0.6689 Remote Similarity NPC298005
0.6667 Remote Similarity NPC471674
0.6667 Remote Similarity NPC473424
0.6667 Remote Similarity NPC78473
0.6667 Remote Similarity NPC159367
0.6667 Remote Similarity NPC61717
0.6667 Remote Similarity NPC201899
0.6667 Remote Similarity NPC244380
0.6667 Remote Similarity NPC162910
0.6667 Remote Similarity NPC50815
0.6667 Remote Similarity NPC122056
0.6667 Remote Similarity NPC474083
0.6667 Remote Similarity NPC191684
0.6667 Remote Similarity NPC328371
0.6644 Remote Similarity NPC478140
0.6641 Remote Similarity NPC478052
0.664 Remote Similarity NPC83709
0.664 Remote Similarity NPC135799
0.6639 Remote Similarity NPC8993
0.6639 Remote Similarity NPC143767
0.6639 Remote Similarity NPC131470
0.662 Remote Similarity NPC15249
0.662 Remote Similarity NPC25455
0.6617 Remote Similarity NPC147912
0.6617 Remote Similarity NPC470953
0.6617 Remote Similarity NPC67259
0.6614 Remote Similarity NPC476237
0.6614 Remote Similarity NPC180204
0.6613 Remote Similarity NPC320306
0.6613 Remote Similarity NPC253826
0.6613 Remote Similarity NPC151488
0.6612 Remote Similarity NPC272746
0.6612 Remote Similarity NPC473998
0.6612 Remote Similarity NPC472975
0.661 Remote Similarity NPC472974
0.6593 Remote Similarity NPC474006
0.6593 Remote Similarity NPC475913
0.6591 Remote Similarity NPC191620
0.6591 Remote Similarity NPC236217
0.6589 Remote Similarity NPC475294
0.6589 Remote Similarity NPC176773
0.6587 Remote Similarity NPC34193
0.6587 Remote Similarity NPC118275
0.6587 Remote Similarity NPC472637
0.6585 Remote Similarity NPC316215
0.6585 Remote Similarity NPC469995
0.6585 Remote Similarity NPC173875
0.6585 Remote Similarity NPC174948
0.6585 Remote Similarity NPC318282
0.6585 Remote Similarity NPC317586
0.6585 Remote Similarity NPC472932
0.6585 Remote Similarity NPC470016
0.6583 Remote Similarity NPC474245
0.6583 Remote Similarity NPC26959
0.6583 Remote Similarity NPC186688
0.6583 Remote Similarity NPC32830
0.6583 Remote Similarity NPC268406
0.6581 Remote Similarity NPC85774
0.6581 Remote Similarity NPC59453
0.6581 Remote Similarity NPC214043
0.6581 Remote Similarity NPC221758
0.6577 Remote Similarity NPC298469
0.6577 Remote Similarity NPC141669
0.6575 Remote Similarity NPC287885
0.6573 Remote Similarity NPC122819
0.6569 Remote Similarity NPC476504
0.6569 Remote Similarity NPC238323
0.6565 Remote Similarity NPC29133
0.6565 Remote Similarity NPC473627
0.6562 Remote Similarity NPC75531
0.6562 Remote Similarity NPC294259
0.6562 Remote Similarity NPC149124
0.6562 Remote Similarity NPC137657
0.6562 Remote Similarity NPC133420
0.656 Remote Similarity NPC478056
0.656 Remote Similarity NPC92275
0.6557 Remote Similarity NPC474736
0.6557 Remote Similarity NPC470224
0.6547 Remote Similarity NPC476503
0.6547 Remote Similarity NPC321197
0.6544 Remote Similarity NPC474179
0.6544 Remote Similarity NPC475834
0.6538 Remote Similarity NPC476276
0.6538 Remote Similarity NPC220155
0.6535 Remote Similarity NPC114540
0.6535 Remote Similarity NPC32577
0.6535 Remote Similarity NPC155332
0.6535 Remote Similarity NPC473289
0.6535 Remote Similarity NPC119601
0.6535 Remote Similarity NPC308726
0.6535 Remote Similarity NPC247060
0.6535 Remote Similarity NPC475320
0.6533 Remote Similarity NPC214821
0.6533 Remote Similarity NPC298067
0.6532 Remote Similarity NPC476903
0.6532 Remote Similarity NPC472941
0.6532 Remote Similarity NPC160056

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC317654 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
0.6977 Remote Similarity NPD7335 Phase 2
0.6977 Remote Similarity NPD7336 Phase 2
0.6977 Remote Similarity NPD7337 Clinical (unspecified phase)
0.694 Remote Similarity NPD6908 Approved
0.694 Remote Similarity NPD6909 Approved
0.6667 Remote Similarity NPD6914 Discontinued
0.6641 Remote Similarity NPD6920 Discontinued
0.6583 Remote Similarity NPD5328 Approved
0.6581 Remote Similarity NPD4786 Approved
0.6573 Remote Similarity NPD8449 Approved
0.6573 Remote Similarity NPD6845 Suspended
0.6532 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6528 Remote Similarity NPD8450 Suspended
0.6519 Remote Similarity NPD7115 Discovery
0.6512 Remote Similarity NPD7333 Discontinued
0.6475 Remote Similarity NPD6079 Approved
0.6471 Remote Similarity NPD3618 Phase 1
0.6423 Remote Similarity NPD4202 Approved
0.6412 Remote Similarity NPD6415 Discontinued
0.641 Remote Similarity NPD3667 Approved
0.6389 Remote Similarity NPD7260 Phase 2
0.6357 Remote Similarity NPD7122 Discontinued
0.6333 Remote Similarity NPD5279 Phase 3
0.6304 Remote Similarity NPD7517 Approved
0.6304 Remote Similarity NPD7519 Approved
0.6304 Remote Similarity NPD7518 Approved
0.6303 Remote Similarity NPD3666 Approved
0.6303 Remote Similarity NPD3665 Phase 1
0.6303 Remote Similarity NPD3133 Approved
0.6299 Remote Similarity NPD7638 Approved
0.629 Remote Similarity NPD6399 Phase 3
0.6288 Remote Similarity NPD7320 Approved
0.626 Remote Similarity NPD6675 Approved
0.626 Remote Similarity NPD6402 Approved
0.626 Remote Similarity NPD5739 Approved
0.626 Remote Similarity NPD7128 Approved
0.625 Remote Similarity NPD7639 Approved
0.625 Remote Similarity NPD7640 Approved
0.622 Remote Similarity NPD6083 Phase 2
0.622 Remote Similarity NPD6084 Phase 2
0.622 Remote Similarity NPD4755 Approved
0.619 Remote Similarity NPD5695 Phase 3
0.6181 Remote Similarity NPD8337 Approved
0.6181 Remote Similarity NPD8336 Approved
0.6179 Remote Similarity NPD4753 Phase 2
0.6165 Remote Similarity NPD6899 Approved
0.6165 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD5211 Phase 2
0.6142 Remote Similarity NPD5222 Approved
0.6142 Remote Similarity NPD5221 Approved
0.6142 Remote Similarity NPD4697 Phase 3
0.6142 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6134 Remote Similarity NPD4223 Phase 3
0.6134 Remote Similarity NPD4221 Approved
0.6133 Remote Similarity NPD6334 Approved
0.6133 Remote Similarity NPD6333 Approved
0.6129 Remote Similarity NPD4096 Approved
0.6124 Remote Similarity NPD4696 Approved
0.6124 Remote Similarity NPD5286 Approved
0.6124 Remote Similarity NPD6404 Discontinued
0.6124 Remote Similarity NPD4700 Approved
0.6124 Remote Similarity NPD5285 Approved
0.6119 Remote Similarity NPD6372 Approved
0.6119 Remote Similarity NPD6373 Approved
0.6116 Remote Similarity NPD5329 Approved
0.6111 Remote Similarity NPD7748 Approved
0.6099 Remote Similarity NPD7739 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6903 Approved
0.6098 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6096 Remote Similarity NPD7751 Phase 1
0.6094 Remote Similarity NPD5173 Approved
0.609 Remote Similarity NPD5697 Approved
0.609 Remote Similarity NPD5701 Approved
0.6087 Remote Similarity NPD7755 Approved
0.6087 Remote Similarity NPD7754 Approved
0.608 Remote Similarity NPD7515 Phase 2
0.6077 Remote Similarity NPD5223 Approved
0.6074 Remote Similarity NPD7102 Approved
0.6074 Remote Similarity NPD7290 Approved
0.6074 Remote Similarity NPD6420 Discontinued
0.6074 Remote Similarity NPD6883 Approved
0.6066 Remote Similarity NPD7146 Approved
0.6066 Remote Similarity NPD7334 Approved
0.6066 Remote Similarity NPD4694 Approved
0.6066 Remote Similarity NPD5330 Approved
0.6066 Remote Similarity NPD7521 Approved
0.6066 Remote Similarity NPD6409 Approved
0.6066 Remote Similarity NPD5690 Phase 2
0.6066 Remote Similarity NPD6684 Approved
0.6066 Remote Similarity NPD5280 Approved
0.6063 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5141 Approved
0.6056 Remote Similarity NPD7623 Phase 3
0.6056 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6045 Remote Similarity NPD6011 Approved
0.6042 Remote Similarity NPD7507 Approved
0.604 Remote Similarity NPD8415 Approved
0.6033 Remote Similarity NPD4197 Approved
0.6031 Remote Similarity NPD5224 Approved
0.6031 Remote Similarity NPD5226 Approved
0.6031 Remote Similarity NPD4633 Approved
0.6031 Remote Similarity NPD5225 Approved
0.6029 Remote Similarity NPD6617 Approved
0.6029 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6029 Remote Similarity NPD6650 Approved
0.6029 Remote Similarity NPD6847 Approved
0.6029 Remote Similarity NPD8130 Phase 1
0.6029 Remote Similarity NPD6649 Approved
0.6029 Remote Similarity NPD6869 Approved
0.6015 Remote Similarity NPD6008 Approved
0.6014 Remote Similarity NPD8338 Approved
0.6 Remote Similarity NPD6014 Approved
0.6 Remote Similarity NPD5207 Approved
0.6 Remote Similarity NPD6013 Approved
0.6 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6 Remote Similarity NPD6012 Approved
0.5985 Remote Similarity NPD6882 Approved
0.5985 Remote Similarity NPD5174 Approved
0.5985 Remote Similarity NPD8297 Approved
0.5985 Remote Similarity NPD4754 Approved
0.5985 Remote Similarity NPD6053 Discontinued
0.5985 Remote Similarity NPD5175 Approved
0.597 Remote Similarity NPD6412 Phase 2
0.5969 Remote Similarity NPD7902 Approved
0.5968 Remote Similarity NPD5737 Approved
0.5968 Remote Similarity NPD6672 Approved
0.5952 Remote Similarity NPD5693 Phase 1
0.5938 Remote Similarity NPD4629 Approved
0.5938 Remote Similarity NPD5210 Approved
0.5935 Remote Similarity NPD4693 Phase 3
0.5935 Remote Similarity NPD4690 Approved
0.5935 Remote Similarity NPD4138 Approved
0.5935 Remote Similarity NPD4689 Approved
0.5935 Remote Similarity NPD4688 Approved
0.5935 Remote Similarity NPD5205 Approved
0.5923 Remote Similarity NPD5696 Approved
0.5918 Remote Similarity NPD7319 Approved
0.5915 Remote Similarity NPD6059 Approved
0.5915 Remote Similarity NPD6054 Approved
0.5915 Remote Similarity NPD7147 Phase 3
0.5915 Remote Similarity NPD7148 Clinical (unspecified phase)
0.5903 Remote Similarity NPD7604 Phase 2
0.5902 Remote Similarity NPD3668 Phase 3
0.5896 Remote Similarity NPD4767 Approved
0.5896 Remote Similarity NPD4768 Approved
0.589 Remote Similarity NPD7747 Phase 1
0.589 Remote Similarity NPD7746 Phase 1
0.587 Remote Similarity NPD6429 Approved
0.587 Remote Similarity NPD6430 Approved
0.5859 Remote Similarity NPD6001 Approved
0.5854 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5854 Remote Similarity NPD1694 Approved
0.5833 Remote Similarity NPD6370 Approved
0.5827 Remote Similarity NPD6050 Approved
0.5827 Remote Similarity NPD5284 Approved
0.5827 Remote Similarity NPD1376 Discontinued
0.5827 Remote Similarity NPD5281 Approved
0.582 Remote Similarity NPD4788 Approved
0.5812 Remote Similarity NPD7339 Approved
0.5812 Remote Similarity NPD6942 Approved
0.5809 Remote Similarity NPD4730 Approved
0.5809 Remote Similarity NPD4729 Approved
0.5809 Remote Similarity NPD5128 Approved
0.5806 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5806 Remote Similarity NPD4519 Discontinued
0.5806 Remote Similarity NPD4623 Approved
0.5802 Remote Similarity NPD4225 Approved
0.5794 Remote Similarity NPD6080 Approved
0.5794 Remote Similarity NPD6673 Approved
0.5794 Remote Similarity NPD6904 Approved
0.5789 Remote Similarity NPD7632 Discontinued
0.5779 Remote Similarity NPD3528 Clinical (unspecified phase)
0.5775 Remote Similarity NPD7328 Approved
0.5775 Remote Similarity NPD7327 Approved
0.5775 Remote Similarity NPD6335 Approved
0.5772 Remote Similarity NPD8392 Approved
0.5772 Remote Similarity NPD8390 Approved
0.5772 Remote Similarity NPD8391 Approved
0.5764 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5764 Remote Similarity NPD6016 Approved
0.5764 Remote Similarity NPD6921 Approved
0.5764 Remote Similarity NPD8033 Approved
0.5764 Remote Similarity NPD6015 Approved
0.576 Remote Similarity NPD3573 Approved
0.5756 Remote Similarity NPD7997 Clinical (unspecified phase)
0.5753 Remote Similarity NPD7492 Approved
0.5748 Remote Similarity NPD5692 Phase 3
0.5746 Remote Similarity NPD2258 Approved
0.5746 Remote Similarity NPD2259 Approved
0.5745 Remote Similarity NPD6868 Approved
0.5745 Remote Similarity NPD6274 Approved
0.5743 Remote Similarity NPD7736 Approved
0.5736 Remote Similarity NPD7900 Approved
0.5736 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5736 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5734 Remote Similarity NPD7100 Approved
0.5734 Remote Similarity NPD7516 Approved
0.5734 Remote Similarity NPD7101 Approved
0.5725 Remote Similarity NPD5249 Phase 3
0.5725 Remote Similarity NPD5169 Approved

Structure

External Identifiers

PubChem CID   6093180
ChEMBL   CHEMBL1717145
ZINC  

Physicochemical Properties

Molecular Weight:  425.29
ALogP:  -0.0124
MLogP:  3.99
XLogP:  1.88
# Rotatable Bonds:  5
Polar Surface Area:  58.56
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  31

Download Data

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