ID: 109915
SMILES:Cc1c(C2C(C(=C)C)CCC(C)=C2)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.498
CB1 binding score: -15.07
InChIKey:OSUCXAQJNCZGNF-UHFFFAOYSA-N
ID: 109916
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 109917
SMILES:C12CC(C)C(=O)CC1C(C)(C)Oc1c2ccc(CCNC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -12.099
InChIKey:OWEVBQDRINYQIV-UHFFFAOYSA-N
ID: 109918
SMILES:C(=CCCC1(C)Oc2c(CCCCC)cc(O)cc2CC1)(C(=O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.681
InChIKey:NPUGQHQBEPBAKM-UHFFFAOYSA-N
ID: 109919
SMILES:C12(C)CCC3C(C)(C)Oc4cc(C)cc(O)c4C13CCC(CO)=CC2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.732
InChIKey:PELMGHYUDRPPNA-UHFFFAOYSA-N
ID: 109920
SMILES:C(=C(C)C(=O)C=CC(C)(C)O)c1cc(CCCCC)cc(O)c1Cl
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.886
CB1 binding score: -7.011
InChIKey:RMQRHWTXGPLMNW-UHFFFAOYSA-N
ID: 109921
SMILES:C1=C(C)CCC2C(C)(OC(C)(C)C1)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.678
InChIKey:VBLSTJLOIGNOOS-UHFFFAOYSA-N
ID: 109922
SMILES:C12C(C)(O)CCC1C(CCC=C(C)C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.233
InChIKey:YPUYBRLGHYSHKA-UHFFFAOYSA-N
ID: 109923
SMILES:C1C(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 109924
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 109925
SMILES:C(CCCCC)C12OC(C)(C)C(C1)C1(OC)CC(C)=CC(OC)=C1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.423
InChIKey:WQMVSOCDANDCOD-UHFFFAOYSA-N
ID: 109926
SMILES:c1(O)c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 109927
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 109928
SMILES:C(Oc1cc(CCCCC)cc2c1C1OCC3(C=O)C(C2)C1C(=O)O3)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.351
InChIKey:BSMFKQDQYCHAIW-UHFFFAOYSA-N
ID: 109929
SMILES:c1(C)c(O)cc2c(c1OC)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.138
InChIKey:DZIWYSSBINWVKS-UHFFFAOYSA-N
ID: 109930
SMILES:O1c2c(c(O)c(C(O)=O)c(C(C)CCCCC)c2)CC(C(=C)C)C1(C)CC=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.305
InChIKey:MXRMSQHBMFDNDC-UHFFFAOYSA-N
ID: 109931
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 109932
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 109933
SMILES:c1(C=CCO)cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.813
InChIKey:RIZVANIJHVRUMH-UHFFFAOYSA-N
ID: 109934
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC(C)(O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.701
InChIKey:VLSDEBYRWTUNAE-UHFFFAOYSA-N
ID: 109935
SMILES:C1C(C2C(C(C)C)CCC(C)C2)=CC(c2c(O)cc(CCC)cc2O)C(c2ccccc2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 460.658
CB1 binding score: -14.985
InChIKey:FGDWYJBXKHSWSC-UHFFFAOYSA-N