Natural Product: NPC476135

Natural Product ID:  NPC476135
Common Name:   7-Formamidoamphilect-11(20),15-Diene
IUPAC Name:   N-[(1S,3aR,4S,6S,6aS,9aS,9bS)-1,4-dimethyl-7-methylidene-6-(2-methylprop-2-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalen-1-yl]formamide
Synonyms:  
Molecular Formula:   C21H33NO
Standard InCHIKey:  DIGFXLWYKNYMMN-QCPSMULASA-N
Standard InCHI:  InChI=1S/C21H33NO/c1-13(2)10-16-11-15(4)17-8-9-21(5,22-12-23)18-7-6-14(3)19(16)20(17)18/h12,15-20H,1,3,6-11H2,2,4-5H3,(H,22,23)/t15-,16+,17+,18-,19-,20+,21-/m0/s1
Canonical SMILES:  OC=N[C@@]1(C)CC[C@H]2[C@@H]3[C@@H]1CCC(=C)[C@H]3[C@@H](C[C@@H]2C)CC(=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
NPO33434 cymbastel hooperi Species NA NA PMID[19199790]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 90 ug/ml 24168147
NPT83 Cell Line MCF7 Homo sapiens GI < 50 % 23387796

  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 NPC476135 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
0.9394 High Similarity NPC476329
0.8906 High Similarity NPC476682
0.8857 High Similarity NPC476308
0.8182 Intermediate Similarity NPC89921
0.8125 Intermediate Similarity NPC324944
0.8095 Intermediate Similarity NPC318036
0.7969 Intermediate Similarity NPC173815
0.7746 Intermediate Similarity NPC138409
0.7612 Intermediate Similarity NPC317778
0.7606 Intermediate Similarity NPC476288
0.7463 Intermediate Similarity NPC28755
0.7463 Intermediate Similarity NPC152211
0.726 Intermediate Similarity NPC184919
0.726 Intermediate Similarity NPC472831
0.7143 Intermediate Similarity NPC477740
0.7143 Intermediate Similarity NPC145715
0.7083 Intermediate Similarity NPC474456
0.7042 Intermediate Similarity NPC473959
0.7027 Intermediate Similarity NPC124384
0.7 Intermediate Similarity NPC477739
0.6706 Remote Similarity NPC474458
0.6667 Remote Similarity NPC474027
0.6667 Remote Similarity NPC474435
0.6667 Remote Similarity NPC212905
0.6667 Remote Similarity NPC470369
0.6667 Remote Similarity NPC470370
0.6588 Remote Similarity NPC152684
0.6543 Remote Similarity NPC79704
0.6512 Remote Similarity NPC56107
0.6506 Remote Similarity NPC257962
0.64 Remote Similarity NPC37792
0.6389 Remote Similarity NPC311809
0.6364 Remote Similarity NPC245223
0.6324 Remote Similarity NPC474416
0.631 Remote Similarity NPC475724
0.6301 Remote Similarity NPC219621
0.6267 Remote Similarity NPC476737
0.6267 Remote Similarity NPC27243
0.625 Remote Similarity NPC476904
0.6216 Remote Similarity NPC475755
0.6203 Remote Similarity NPC21773
0.619 Remote Similarity NPC250632
0.6136 Remote Similarity NPC166458
0.6071 Remote Similarity NPC211322
0.6047 Remote Similarity NPC283277
0.6022 Remote Similarity NPC280710
0.6022 Remote Similarity NPC243985
0.6 Remote Similarity NPC265789
0.5974 Remote Similarity NPC476039
0.5974 Remote Similarity NPC286669
0.5974 Remote Similarity NPC222366
0.5972 Remote Similarity NPC474457
0.5955 Remote Similarity NPC157479
0.5904 Remote Similarity NPC7214
0.59 Remote Similarity NPC55462
0.5897 Remote Similarity NPC197805
0.5895 Remote Similarity NPC476903
0.5889 Remote Similarity NPC43308
0.5882 Remote Similarity NPC476681
0.5875 Remote Similarity NPC45296
0.5862 Remote Similarity NPC215474
0.5859 Remote Similarity NPC474583
0.5857 Remote Similarity NPC127944
0.5851 Remote Similarity NPC477290
0.5843 Remote Similarity NPC147513
0.5843 Remote Similarity NPC311769
0.5843 Remote Similarity NPC182106
0.5843 Remote Similarity NPC24733
0.5833 Remote Similarity NPC240650
0.5833 Remote Similarity NPC167419
0.5824 Remote Similarity NPC259252
0.5811 Remote Similarity NPC21781
0.5811 Remote Similarity NPC474455
0.5811 Remote Similarity NPC474454
0.5811 Remote Similarity NPC472827
0.5811 Remote Similarity NPC474420
0.5802 Remote Similarity NPC111234
0.5802 Remote Similarity NPC301226
0.5802 Remote Similarity NPC164045
0.5795 Remote Similarity NPC246956
0.5783 Remote Similarity NPC125828
0.5781 Remote Similarity NPC193180
0.5758 Remote Similarity NPC471083
0.5758 Remote Similarity NPC476755
0.5753 Remote Similarity NPC474415
0.5753 Remote Similarity NPC474528
0.5753 Remote Similarity NPC11130
0.5753 Remote Similarity NPC475696
0.5747 Remote Similarity NPC90150
0.5747 Remote Similarity NPC329782
0.5735 Remote Similarity NPC22765
0.5732 Remote Similarity NPC474743
0.5732 Remote Similarity NPC472506
0.5732 Remote Similarity NPC211009
0.5732 Remote Similarity NPC195489
0.5694 Remote Similarity NPC469770
0.5686 Remote Similarity NPC25340
0.5682 Remote Similarity NPC472312
0.5682 Remote Similarity NPC224072
0.5673 Remote Similarity NPC472359
0.567 Remote Similarity NPC184033
0.5667 Remote Similarity NPC75810
0.5663 Remote Similarity NPC192638
0.5663 Remote Similarity NPC254509
0.5663 Remote Similarity NPC476736
0.5663 Remote Similarity NPC62657
0.5663 Remote Similarity NPC5046
0.5663 Remote Similarity NPC196358
0.5663 Remote Similarity NPC472503
0.5663 Remote Similarity NPC49168
0.5663 Remote Similarity NPC100334
0.5663 Remote Similarity NPC145552
0.5663 Remote Similarity NPC25511
0.5663 Remote Similarity NPC308440
0.5652 Remote Similarity NPC324405
0.5641 Remote Similarity NPC163678
0.5632 Remote Similarity NPC12035
0.5625 Remote Similarity NPC216460
0.5625 Remote Similarity NPC94192
0.5625 Remote Similarity NPC32055
0.5625 Remote Similarity NPC272732
0.5625 Remote Similarity NPC103290
0.5625 Remote Similarity NPC311164
0.5625 Remote Similarity NPC160209
0.5625 Remote Similarity NPC2648
0.5618 Remote Similarity NPC171639
0.5618 Remote Similarity NPC21667
0.5616 Remote Similarity NPC264779
0.56 Remote Similarity NPC50815
0.56 Remote Similarity NPC247060
0.56 Remote Similarity NPC475716

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476135 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
0.6022 Remote Similarity NPD5771 Approved
0.6 Remote Similarity NPD5365 Phase 2
0.5875 Remote Similarity NPD6938 Clinical (unspecified phase)
0.5875 Remote Similarity NPD6939 Phase 2
0.5851 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5729 Remote Similarity NPD2895 Discontinued
0.5644 Remote Similarity NPD7812 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   45267073
ChEMBL   CHEMBL539889
ZINC  

Physicochemical Properties

Molecular Weight:  315.26
ALogP:  1.9326
MLogP:  3.55
XLogP:  6.181
# Rotatable Bonds:  7
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs