Natural Product: NPC314672

Natural Product ID:  NPC314672
Common Name:   Elloramycin
IUPAC Name:   methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-7H-tetracene-2-carboxylate
Synonyms:   Elloramycin
Molecular Formula:   C32H36O15
Standard InCHIKey:  OYEXGNNKRQPUBW-FJYHMNRNSA-N
Standard InCHI:  InChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1
Canonical SMILES:  COC1=CC(=O)[C@@]2([C@@]([C@@H]1O)(O)C(=O)c1c(C2=O)c(O)c2c(c1)cc(c(c2C)C(=O)OC)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC)OC)OC)OC
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
NPO12176 Streptomyces olivaceus Species Streptomycetaceae Bacteria PMID[11376004]
NPO12176 Streptomyces olivaceus Species Streptomycetaceae Bacteria StreptomeDB*
NPO12176.11 Streptomyces olivaceus tü 2353 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IZ = 25 mm 22361136

  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 NPC314672 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
0.9286 High Similarity NPC131405
0.9274 High Similarity NPC48474
0.9205 High Similarity NPC475161
0.9205 High Similarity NPC208069
0.9205 High Similarity NPC477860
0.9195 High Similarity NPC68381
0.9162 High Similarity NPC205721
0.9153 High Similarity NPC313452
0.9143 High Similarity NPC46958
0.9121 High Similarity NPC470198
0.9121 High Similarity NPC282474
0.9121 High Similarity NPC470197
0.9121 High Similarity NPC470200
0.9121 High Similarity NPC470194
0.9121 High Similarity NPC470195
0.9121 High Similarity NPC316274
0.9121 High Similarity NPC470196
0.9121 High Similarity NPC470193
0.9096 High Similarity NPC315221
0.9091 High Similarity NPC477682
0.9091 High Similarity NPC477683
0.9086 High Similarity NPC186800
0.9086 High Similarity NPC470667
0.908 High Similarity NPC271385
0.908 High Similarity NPC5029
0.908 High Similarity NPC111536
0.908 High Similarity NPC30432
0.908 High Similarity NPC76128
0.908 High Similarity NPC473113
0.905 High Similarity NPC87583
0.904 High Similarity NPC299149
0.904 High Similarity NPC245059
0.904 High Similarity NPC114257
0.904 High Similarity NPC153578
0.904 High Similarity NPC84494
0.904 High Similarity NPC277710
0.9034 High Similarity NPC475246
0.9034 High Similarity NPC475233
0.9023 High Similarity NPC298778
0.9011 High Similarity NPC470199
0.9011 High Similarity NPC314459
0.9 High Similarity NPC105591
0.8989 High Similarity NPC164047
0.8989 High Similarity NPC470452
0.8989 High Similarity NPC470453
0.8989 High Similarity NPC470448
0.8977 High Similarity NPC63105
0.8977 High Similarity NPC3718
0.8977 High Similarity NPC199533
0.8977 High Similarity NPC470583
0.8977 High Similarity NPC470454
0.8977 High Similarity NPC19056
0.8971 High Similarity NPC183441
0.8966 High Similarity NPC473096
0.8966 High Similarity NPC473095
0.8944 High Similarity NPC241847
0.8939 High Similarity NPC473631
0.8939 High Similarity NPC293227
0.8939 High Similarity NPC475662
0.8939 High Similarity NPC473717
0.8933 High Similarity NPC212290
0.8933 High Similarity NPC58538
0.8927 High Similarity NPC102053
0.8927 High Similarity NPC289876
0.892 High Similarity NPC472054
0.892 High Similarity NPC213052
0.892 High Similarity NPC98776
0.892 High Similarity NPC203751
0.892 High Similarity NPC199357
0.892 High Similarity NPC85368
0.8914 High Similarity NPC470580
0.8913 High Similarity NPC314687
0.8908 High Similarity NPC473094
0.8902 High Similarity NPC178281
0.8876 High Similarity NPC470581
0.8876 High Similarity NPC47191
0.8876 High Similarity NPC470582
0.8876 High Similarity NPC115447
0.8876 High Similarity NPC266513
0.887 High Similarity NPC146803
0.887 High Similarity NPC474345
0.8864 High Similarity NPC294501
0.8864 High Similarity NPC270027
0.8859 High Similarity NPC314020
0.8857 High Similarity NPC222455
0.8857 High Similarity NPC259905
0.8852 High Similarity NPC264302
0.8851 High Similarity NPC178851
0.884 High Similarity NPC229817
0.884 High Similarity NPC221140
0.884 High Similarity NPC475352
0.884 High Similarity NPC475220
0.884 High Similarity NPC473686
0.8827 High Similarity NPC187441
0.8827 High Similarity NPC283980
0.882 High Similarity NPC469345
0.882 High Similarity NPC176246
0.8814 High Similarity NPC470335
0.8814 High Similarity NPC470336
0.8814 High Similarity NPC470438
0.8814 High Similarity NPC154986
0.8807 High Similarity NPC478021
0.88 High Similarity NPC63470
0.8793 High Similarity NPC329647
0.8793 High Similarity NPC478022
0.8793 High Similarity NPC470735
0.8793 High Similarity NPC478020
0.8791 High Similarity NPC174486
0.8786 High Similarity NPC212099
0.8786 High Similarity NPC101116
0.8786 High Similarity NPC278329
0.8786 High Similarity NPC146837
0.8785 High Similarity NPC224557
0.8785 High Similarity NPC106700
0.8785 High Similarity NPC292706
0.8778 High Similarity NPC197357
0.8778 High Similarity NPC85316
0.8771 High Similarity NPC470334
0.8771 High Similarity NPC83331
0.8764 High Similarity NPC98667
0.8764 High Similarity NPC232412
0.8764 High Similarity NPC86809
0.8763 High Similarity NPC3474
0.8757 High Similarity NPC315619
0.875 High Similarity NPC246274
0.875 High Similarity NPC191653
0.875 High Similarity NPC473202
0.8736 High Similarity NPC197972
0.8729 High Similarity NPC475656
0.8729 High Similarity NPC475148
0.8708 High Similarity NPC65118
0.8708 High Similarity NPC229051
0.8708 High Similarity NPC131862
0.8701 High Similarity NPC76047
0.8696 High Similarity NPC201814
0.8693 High Similarity NPC249977
0.8689 High Similarity NPC282636
0.8689 High Similarity NPC65489
0.8689 High Similarity NPC294863
0.8686 High Similarity NPC99216
0.8686 High Similarity NPC7752
0.8686 High Similarity NPC478026
0.8686 High Similarity NPC280923
0.8681 High Similarity NPC75574
0.8681 High Similarity NPC231254
0.8681 High Similarity NPC470416
0.8678 High Similarity NPC216752
0.8667 High Similarity NPC258044
0.8667 High Similarity NPC196127
0.8667 High Similarity NPC267680
0.8667 High Similarity NPC35167
0.8667 High Similarity NPC293626
0.8667 High Similarity NPC477895
0.8667 High Similarity NPC217387
0.8667 High Similarity NPC267549
0.8659 High Similarity NPC223735
0.8659 High Similarity NPC307754
0.8659 High Similarity NPC294149
0.8649 High Similarity NPC321046
0.8649 High Similarity NPC478034
0.8644 High Similarity NPC5319
0.8636 High Similarity NPC472150
0.8634 High Similarity NPC111490
0.8634 High Similarity NPC261623
0.8629 High Similarity NPC17432
0.8629 High Similarity NPC475183
0.8626 High Similarity NPC162394
0.8626 High Similarity NPC156785
0.8626 High Similarity NPC241781
0.8626 High Similarity NPC478001
0.8626 High Similarity NPC36138
0.8619 High Similarity NPC72783
0.8611 High Similarity NPC198893
0.8611 High Similarity NPC144097
0.8611 High Similarity NPC232818
0.8611 High Similarity NPC76112
0.8611 High Similarity NPC472384
0.8611 High Similarity NPC314489
0.8611 High Similarity NPC67629
0.8611 High Similarity NPC79736
0.8611 High Similarity NPC472382
0.8611 High Similarity NPC61904
0.8611 High Similarity NPC66820
0.8611 High Similarity NPC170018
0.8611 High Similarity NPC92403
0.8611 High Similarity NPC472380
0.8603 High Similarity NPC476311
0.8603 High Similarity NPC469393
0.8596 High Similarity NPC280385
0.8596 High Similarity NPC469344
0.8596 High Similarity NPC313304
0.8596 High Similarity NPC251144
0.8596 High Similarity NPC52598
0.8596 High Similarity NPC241387
0.8595 High Similarity NPC93065
0.8595 High Similarity NPC469652
0.8595 High Similarity NPC472724
0.8595 High Similarity NPC472721
0.8595 High Similarity NPC31208
0.8595 High Similarity NPC160543

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314672 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
0.9322 High Similarity NPD7879 Clinical (unspecified phase)
0.8723 High Similarity NPD7435 Discontinued
0.8644 High Similarity NPD7804 Clinical (unspecified phase)
0.8611 High Similarity NPD8313 Approved
0.8611 High Similarity NPD8312 Approved
0.8549 High Similarity NPD7874 Approved
0.8549 High Similarity NPD7875 Clinical (unspecified phase)
0.8483 Intermediate Similarity NPD3751 Discontinued
0.8478 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD6777 Approved
0.8466 Intermediate Similarity NPD6780 Approved
0.8466 Intermediate Similarity NPD6778 Approved
0.8466 Intermediate Similarity NPD6782 Approved
0.8466 Intermediate Similarity NPD6776 Approved
0.8466 Intermediate Similarity NPD6779 Approved
0.8466 Intermediate Similarity NPD6781 Approved
0.8453 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8453 Intermediate Similarity NPD7808 Phase 3
0.8429 Intermediate Similarity NPD7697 Approved
0.8429 Intermediate Similarity NPD7696 Phase 3
0.8429 Intermediate Similarity NPD7698 Approved
0.8402 Intermediate Similarity NPD8151 Discontinued
0.8398 Intermediate Similarity NPD7251 Discontinued
0.8385 Intermediate Similarity NPD7871 Phase 2
0.8385 Intermediate Similarity NPD7870 Phase 2
0.837 Intermediate Similarity NPD8150 Discontinued
0.8351 Intermediate Similarity NPD7701 Phase 2
0.8343 Intermediate Similarity NPD6797 Phase 2
0.8343 Intermediate Similarity NPD7075 Discontinued
0.8297 Intermediate Similarity NPD6559 Discontinued
0.829 Intermediate Similarity NPD8320 Phase 1
0.829 Intermediate Similarity NPD8319 Approved
0.8287 Intermediate Similarity NPD7074 Phase 3
0.8263 Intermediate Similarity NPD7699 Phase 2
0.8263 Intermediate Similarity NPD7700 Phase 2
0.8239 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8232 Intermediate Similarity NPD5844 Phase 1
0.8232 Intermediate Similarity NPD7054 Approved
0.8223 Intermediate Similarity NPD7801 Approved
0.8223 Intermediate Similarity NPD7783 Phase 2
0.8223 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.8222 Intermediate Similarity NPD7473 Discontinued
0.8202 Intermediate Similarity NPD6959 Discontinued
0.8201 Intermediate Similarity NPD6534 Approved
0.8201 Intermediate Similarity NPD6535 Approved
0.8187 Intermediate Similarity NPD7472 Approved
0.8171 Intermediate Similarity NPD7819 Suspended
0.8171 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD3787 Discontinued
0.8156 Intermediate Similarity NPD6232 Discontinued
0.8128 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD3818 Discontinued
0.8066 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8066 Intermediate Similarity NPD6166 Phase 2
0.8066 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD6801 Discontinued
0.8 Intermediate Similarity NPD6823 Phase 2
0.7979 Intermediate Similarity NPD8434 Phase 2
0.7978 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7921 Intermediate Similarity NPD5402 Approved
0.7898 Intermediate Similarity NPD4380 Phase 2
0.788 Intermediate Similarity NPD7228 Approved
0.7869 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD8455 Phase 2
0.7865 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD3226 Approved
0.7821 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD3817 Phase 2
0.7797 Intermediate Similarity NPD6599 Discontinued
0.7753 Intermediate Similarity NPD7411 Suspended
0.7709 Intermediate Similarity NPD1934 Approved
0.768 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD7768 Phase 2
0.768 Intermediate Similarity NPD6212 Phase 3
0.768 Intermediate Similarity NPD6213 Phase 3
0.768 Intermediate Similarity NPD3882 Suspended
0.7667 Intermediate Similarity NPD1465 Phase 2
0.7657 Intermediate Similarity NPD6799 Approved
0.765 Intermediate Similarity NPD5494 Approved
0.764 Intermediate Similarity NPD7458 Discontinued
0.7637 Intermediate Similarity NPD3749 Approved
0.7627 Intermediate Similarity NPD5403 Approved
0.7619 Intermediate Similarity NPD7685 Pre-registration
0.7614 Intermediate Similarity NPD2534 Approved
0.7614 Intermediate Similarity NPD2532 Approved
0.7614 Intermediate Similarity NPD2533 Approved
0.7614 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD37 Approved
0.7596 Intermediate Similarity NPD6234 Discontinued
0.7582 Intermediate Similarity NPD4965 Approved
0.7582 Intermediate Similarity NPD4967 Phase 2
0.7582 Intermediate Similarity NPD4966 Approved
0.7569 Intermediate Similarity NPD2801 Approved
0.7542 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD7240 Approved
0.7514 Intermediate Similarity NPD5401 Approved
0.7514 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD2346 Discontinued
0.7512 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD8059 Phase 3
0.7486 Intermediate Similarity NPD4628 Phase 3
0.7475 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD6190 Approved
0.7419 Intermediate Similarity NPD7199 Phase 2
0.74 Intermediate Similarity NPD8285 Discontinued
0.7386 Intermediate Similarity NPD3750 Approved
0.7374 Intermediate Similarity NPD1512 Approved
0.7371 Intermediate Similarity NPD1549 Phase 2
0.736 Intermediate Similarity NPD7390 Discontinued
0.7356 Intermediate Similarity NPD2935 Discontinued
0.733 Intermediate Similarity NPD6674 Discontinued
0.733 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7930 Approved
0.7318 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7584 Approved
0.7316 Intermediate Similarity NPD7799 Discontinued
0.7314 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD919 Approved
0.7299 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD1511 Approved
0.7249 Intermediate Similarity NPD3926 Phase 2
0.7238 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD1247 Approved
0.7219 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD1653 Approved
0.7196 Intermediate Similarity NPD5710 Approved
0.7196 Intermediate Similarity NPD5711 Approved
0.7196 Intermediate Similarity NPD8366 Approved
0.7191 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8404 Phase 2
0.7165 Intermediate Similarity NPD8368 Discontinued
0.7159 Intermediate Similarity NPD5404 Approved
0.7159 Intermediate Similarity NPD2796 Approved
0.7159 Intermediate Similarity NPD5405 Approved
0.7159 Intermediate Similarity NPD5408 Approved
0.7159 Intermediate Similarity NPD5406 Approved
0.7143 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2800 Approved
0.7135 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7266 Discontinued
0.7116 Intermediate Similarity NPD7907 Approved
0.7115 Intermediate Similarity NPD7585 Approved
0.7113 Intermediate Similarity NPD5953 Discontinued
0.7102 Intermediate Similarity NPD3748 Approved
0.7102 Intermediate Similarity NPD2799 Discontinued
0.7102 Intermediate Similarity NPD1510 Phase 2
0.7101 Intermediate Similarity NPD7999 Approved
0.7095 Intermediate Similarity NPD7003 Approved
0.7091 Intermediate Similarity NPD8067 Phase 3
0.7087 Intermediate Similarity NPD7680 Approved
0.7086 Intermediate Similarity NPD1607 Approved
0.7085 Intermediate Similarity NPD8360 Approved
0.7085 Intermediate Similarity NPD8361 Approved
0.7085 Intermediate Similarity NPD8435 Approved
0.7072 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD4060 Phase 1
0.7067 Intermediate Similarity NPD7583 Approved
0.7064 Intermediate Similarity NPD8491 Approved
0.7062 Intermediate Similarity NPD6100 Approved
0.7062 Intermediate Similarity NPD1551 Phase 2
0.7062 Intermediate Similarity NPD6099 Approved
0.7056 Intermediate Similarity NPD8407 Phase 2
0.7053 Intermediate Similarity NPD8127 Discontinued
0.7049 Intermediate Similarity NPD920 Approved
0.7047 Intermediate Similarity NPD7177 Discontinued
0.7045 Intermediate Similarity NPD7097 Phase 1
0.7024 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD2344 Approved
0.7016 Intermediate Similarity NPD7229 Phase 3
0.701 Intermediate Similarity NPD7286 Phase 2
0.701 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.6995 Remote Similarity NPD6273 Approved
0.6971 Remote Similarity NPD1240 Approved
0.6954 Remote Similarity NPD6798 Discontinued
0.6954 Remote Similarity NPD2313 Discontinued
0.6944 Remote Similarity NPD1243 Approved
0.694 Remote Similarity NPD642 Clinical (unspecified phase)
0.6932 Remote Similarity NPD1933 Approved
0.6932 Remote Similarity NPD6355 Discontinued
0.6927 Remote Similarity NPD1471 Phase 3
0.6914 Remote Similarity NPD6233 Phase 2
0.6906 Remote Similarity NPD8166 Discontinued
0.6893 Remote Similarity NPD6651 Approved
0.6878 Remote Similarity NPD8485 Approved
0.6868 Remote Similarity NPD2309 Approved
0.6866 Remote Similarity NPD4665 Approved
0.6866 Remote Similarity NPD4111 Phase 1
0.6857 Remote Similarity NPD7985 Registered
0.6857 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6856 Remote Similarity NPD7784 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10009567
ChEMBL   CHEMBL1957887
ZINC  

Physicochemical Properties

Molecular Weight:  660.21
ALogP:  -2.8103
MLogP:  3.33
XLogP:  -0.514
# Rotatable Bonds:  20
Polar Surface Area:  202.81
# H-Bond Aceptor:  13
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  47

Download Data

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