Drug ID:   | NPD3173 |
Drug Name:   | Gamolenic Acid |
Molecular Formula:   | C18H30O2 |
Canonical SMILES:   | CCCCC/C=CC/C=CC/C=CCCCCC(=O)O |
Standard InCHI:   | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12- |
Standard InCHIKey:   | VZCCETWTMQHEPK-QNEBEIHSSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 1.0 | NPC5413 |
High Similarity | 1.0 | NPC149821 |
High Similarity | 0.9778 | NPC207292 |
High Similarity | 0.9375 | NPC92114 |
High Similarity | 0.9348 | NPC91495 |
High Similarity | 0.9333 | NPC117572 |
High Similarity | 0.9184 | NPC70387 |
High Similarity | 0.9184 | NPC139029 |
High Similarity | 0.9184 | NPC36061 |
High Similarity | 0.9184 | NPC294548 |
High Similarity | 0.9184 | NPC1813 |
High Similarity | 0.9184 | NPC321062 |
High Similarity | 0.9167 | NPC28205 |
High Similarity | 0.9167 | NPC284212 |
High Similarity | 0.9 | NPC88966 |
High Similarity | 0.9 | NPC154245 |
High Similarity | 0.9 | NPC87564 |
High Similarity | 0.9 | NPC261831 |
High Similarity | 0.9 | NPC424 |
High Similarity | 0.9 | NPC32467 |
High Similarity | 0.9 | NPC6095 |
High Similarity | 0.9 | NPC25417 |
High Similarity | 0.9 | NPC290563 |
High Similarity | 0.9 | NPC85813 |
High Similarity | 0.9 | NPC281972 |
High Similarity | 0.898 | NPC281245 |
High Similarity | 0.8958 | NPC59051 |
High Similarity | 0.8824 | NPC274290 |
High Similarity | 0.8824 | NPC473863 |
High Similarity | 0.8776 | NPC48162 |
High Similarity | 0.8654 | NPC187777 |
High Similarity | 0.8654 | NPC18951 |
High Similarity | 0.8654 | NPC179764 |
High Similarity | 0.8654 | NPC477201 |
High Similarity | 0.8571 | NPC224227 |
Intermediate Similarity | 0.8491 | NPC225929 |
Intermediate Similarity | 0.8478 | NPC270796 |
Intermediate Similarity | 0.8462 | NPC54766 |
Intermediate Similarity | 0.84 | NPC262968 |
Intermediate Similarity | 0.8333 | NPC42304 |
Intermediate Similarity | 0.8302 | NPC325977 |
Intermediate Similarity | 0.8269 | NPC322461 |
Intermediate Similarity | 0.8235 | NPC129458 |
Intermediate Similarity | 0.8182 | NPC329550 |
Intermediate Similarity | 0.8182 | NPC106851 |
Intermediate Similarity | 0.8182 | NPC274927 |
Intermediate Similarity | 0.8163 | NPC180534 |
Intermediate Similarity | 0.8077 | NPC139545 |
Intermediate Similarity | 0.8077 | NPC225066 |
Intermediate Similarity | 0.8077 | NPC10081 |
Intermediate Similarity | 0.8077 | NPC39633 |
Intermediate Similarity | 0.8077 | NPC309606 |
Intermediate Similarity | 0.8036 | NPC122521 |
Intermediate Similarity | 0.8036 | NPC243532 |
Intermediate Similarity | 0.8036 | NPC251042 |
Intermediate Similarity | 0.8036 | NPC235242 |
Intermediate Similarity | 0.8036 | NPC174447 |
Intermediate Similarity | 0.8 | NPC163345 |
Intermediate Similarity | 0.8 | NPC267817 |
Intermediate Similarity | 0.7963 | NPC327388 |
Intermediate Similarity | 0.7925 | NPC137538 |
Intermediate Similarity | 0.7895 | NPC201939 |
Intermediate Similarity | 0.7895 | NPC40082 |
Intermediate Similarity | 0.7885 | NPC303765 |
Intermediate Similarity | 0.7885 | NPC18357 |
Intermediate Similarity | 0.7818 | NPC323436 |
Intermediate Similarity | 0.7818 | NPC323498 |
Intermediate Similarity | 0.7818 | NPC211752 |
Intermediate Similarity | 0.7818 | NPC323597 |
Intermediate Similarity | 0.7778 | NPC223677 |
Intermediate Similarity | 0.7778 | NPC45626 |
Intermediate Similarity | 0.7778 | NPC52264 |
Intermediate Similarity | 0.7778 | NPC228473 |
Intermediate Similarity | 0.7778 | NPC10316 |
Intermediate Similarity | 0.7778 | NPC28779 |
Intermediate Similarity | 0.7778 | NPC200845 |
Intermediate Similarity | 0.7778 | NPC128061 |
Intermediate Similarity | 0.7736 | NPC71761 |
Intermediate Similarity | 0.7719 | NPC327112 |
Intermediate Similarity | 0.7719 | NPC328311 |
Intermediate Similarity | 0.7692 | NPC470412 |
Intermediate Similarity | 0.7692 | NPC470410 |
Intermediate Similarity | 0.7692 | NPC178586 |
Intermediate Similarity | 0.7679 | NPC329819 |
Intermediate Similarity | 0.7679 | NPC34416 |
Intermediate Similarity | 0.7627 | NPC328089 |
Intermediate Similarity | 0.7627 | NPC470320 |
Intermediate Similarity | 0.7627 | NPC68343 |
Intermediate Similarity | 0.7593 | NPC87394 |
Intermediate Similarity | 0.7586 | NPC320305 |
Intermediate Similarity | 0.7586 | NPC174560 |
Intermediate Similarity | 0.7586 | NPC321838 |
Intermediate Similarity | 0.7586 | NPC328776 |
Intermediate Similarity | 0.7586 | NPC125312 |
Intermediate Similarity | 0.7547 | NPC216407 |
Intermediate Similarity | 0.7544 | NPC329249 |
Intermediate Similarity | 0.75 | NPC317881 |
Intermediate Similarity | 0.75 | NPC255863 |
Intermediate Similarity | 0.75 | NPC245947 |
Intermediate Similarity | 0.75 | NPC326268 |
Intermediate Similarity | 0.75 | NPC323045 |
Intermediate Similarity | 0.75 | NPC318420 |
Intermediate Similarity | 0.75 | NPC136164 |
Intermediate Similarity | 0.75 | NPC320642 |
Intermediate Similarity | 0.7451 | NPC216130 |
Intermediate Similarity | 0.7414 | NPC81896 |
Intermediate Similarity | 0.7414 | NPC321919 |
Intermediate Similarity | 0.7358 | NPC470411 |
Intermediate Similarity | 0.7333 | NPC226592 |
Intermediate Similarity | 0.7308 | NPC207815 |
Intermediate Similarity | 0.7288 | NPC477829 |
Intermediate Similarity | 0.7288 | NPC113293 |
Intermediate Similarity | 0.7258 | NPC26500 |
Intermediate Similarity | 0.7258 | NPC22101 |
Intermediate Similarity | 0.7258 | NPC99619 |
Intermediate Similarity | 0.7258 | NPC127091 |
Intermediate Similarity | 0.7258 | NPC148192 |
Intermediate Similarity | 0.7258 | NPC330426 |
Intermediate Similarity | 0.7258 | NPC49863 |
Intermediate Similarity | 0.7258 | NPC104537 |
Intermediate Similarity | 0.7258 | NPC271921 |
Intermediate Similarity | 0.7241 | NPC322002 |
Intermediate Similarity | 0.7222 | NPC161366 |
Intermediate Similarity | 0.7222 | NPC477779 |
Intermediate Similarity | 0.7213 | NPC323477 |
Intermediate Similarity | 0.7167 | NPC322457 |
Intermediate Similarity | 0.7143 | NPC67367 |
Intermediate Similarity | 0.7143 | NPC476614 |
Intermediate Similarity | 0.7143 | NPC48218 |
Intermediate Similarity | 0.7143 | NPC473559 |
Intermediate Similarity | 0.7143 | NPC474672 |
Intermediate Similarity | 0.7143 | NPC477984 |
Intermediate Similarity | 0.7143 | NPC141481 |
Intermediate Similarity | 0.7143 | NPC324981 |
Intermediate Similarity | 0.7119 | NPC229252 |
Intermediate Similarity | 0.7119 | NPC143857 |
Intermediate Similarity | 0.7097 | NPC308294 |
Intermediate Similarity | 0.7097 | NPC142423 |
Intermediate Similarity | 0.7097 | NPC328653 |
Intermediate Similarity | 0.7049 | NPC234767 |
Intermediate Similarity | 0.7037 | NPC477458 |
Intermediate Similarity | 0.7037 | NPC477777 |
Intermediate Similarity | 0.7031 | NPC143396 |
Intermediate Similarity | 0.7031 | NPC317583 |
Intermediate Similarity | 0.7021 | NPC155880 |
Intermediate Similarity | 0.7021 | NPC92863 |
Remote Similarity | 0.6984 | NPC60120 |
Remote Similarity | 0.6984 | NPC475443 |
Remote Similarity | 0.6984 | NPC473829 |
Remote Similarity | 0.6949 | NPC318306 |
Remote Similarity | 0.6935 | NPC476657 |
Remote Similarity | 0.6935 | NPC476654 |
Remote Similarity | 0.6935 | NPC476655 |
Remote Similarity | 0.6923 | NPC476660 |
Remote Similarity | 0.6923 | NPC42526 |
Remote Similarity | 0.6909 | NPC170167 |
Remote Similarity | 0.6885 | NPC54925 |
Remote Similarity | 0.6885 | NPC477707 |
Remote Similarity | 0.6875 | NPC53302 |
Remote Similarity | 0.6825 | NPC476656 |
Remote Similarity | 0.6825 | NPC476659 |
Remote Similarity | 0.6818 | NPC126061 |
Remote Similarity | 0.6786 | NPC217188 |
Remote Similarity | 0.6786 | NPC284224 |
Remote Similarity | 0.678 | NPC469373 |
Remote Similarity | 0.678 | NPC325734 |
Remote Similarity | 0.6769 | NPC236208 |
Remote Similarity | 0.6769 | NPC473772 |
Remote Similarity | 0.6731 | NPC172042 |
Remote Similarity | 0.6731 | NPC76976 |
Remote Similarity | 0.6731 | NPC239754 |
Remote Similarity | 0.6727 | NPC244452 |
Remote Similarity | 0.6724 | NPC324224 |
Remote Similarity | 0.6724 | NPC472808 |
Remote Similarity | 0.6719 | NPC25298 |
Remote Similarity | 0.6719 | NPC478100 |
Remote Similarity | 0.6719 | NPC478097 |
Remote Similarity | 0.6716 | NPC325627 |
Remote Similarity | 0.6667 | NPC478095 |
Remote Similarity | 0.6667 | NPC252978 |
Remote Similarity | 0.6667 | NPC478098 |
Remote Similarity | 0.6667 | NPC67183 |
Remote Similarity | 0.6667 | NPC175342 |
Remote Similarity | 0.6667 | NPC73245 |
Remote Similarity | 0.6667 | NPC318766 |
Remote Similarity | 0.6667 | NPC322186 |
Remote Similarity | 0.6667 | NPC34873 |
Remote Similarity | 0.6667 | NPC478099 |
Remote Similarity | 0.6667 | NPC40434 |
Remote Similarity | 0.6667 | NPC474127 |
Remote Similarity | 0.6618 | NPC103958 |
Remote Similarity | 0.6618 | NPC92558 |
Remote Similarity | 0.6618 | NPC55527 |
Remote Similarity | 0.6618 | NPC476046 |
Remote Similarity | 0.6618 | NPC3753 |
Remote Similarity | 0.6618 | NPC241854 |
Remote Similarity | 0.6618 | NPC237591 |
Remote Similarity | 0.6618 | NPC283908 |
Remote Similarity | 0.6618 | NPC474321 |
Remote Similarity | 0.6618 | NPC183503 |
TTD   | DNAP001500 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 5280933 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 278.22 |
ALogP   | 0.4457 |
MLogP   | 3.22 |
XLogP   | 7.538 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 15 |
TPSA   | 37.3 |
RO5 Violation   | 2 |