ID: 94039
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -17.825
InChIKey:WRULWNHWZUTIHL-UHFFFAOYSA-N
ID: 94040
SMILES:C1C2Cc3c(O)cc(CCCCC)cc3OC(C)(C)C2CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.405
InChIKey:PBMFFSBQZUDFBS-UHFFFAOYSA-N
ID: 94041
SMILES:C(CCCC)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 94042
SMILES:c1(O)cc(CCCCC)cc(O)c1C1CC(CO)=CC(O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -13.842
InChIKey:DCOSMMGSBABBLK-UHFFFAOYSA-N
ID: 94043
SMILES:C1(COC(CCc2ccc(O)cc2)=O)=CC2=C(CC1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.64
CB1 binding score: -16.015
InChIKey:MVXCVBOPYDIJKG-UHFFFAOYSA-N
ID: 94044
SMILES:Oc1cc(O)c2c(c1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.099
InChIKey:GLHHEMFRKBSLLH-UHFFFAOYSA-N
ID: 94045
SMILES:C(CCCC)c1cc(O)c(C2C(O)C(O)c3c(cc(O)c(CC=C(C)CC=CC(=C)C)c3O)o2)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -15.397
InChIKey:DYGLYQYRBJDPLH-UHFFFAOYSA-N
ID: 94046
SMILES:c1cc2c(=CC)c3c(cc2c(O)(CN)c1C)OC(C)(C)C1=C3CC(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.489
CB1 binding score: -14.605
InChIKey:NZYVGXDNKMXOIB-UHFFFAOYSA-N
ID: 94047
SMILES:C1Oc2c(cc(CCCCC)cc2OC)C2=C1C(CC(C)C)CC1=C2OC(C(C)(O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -13.196
InChIKey:FKLJGOFRRYNWEG-UHFFFAOYSA-N
ID: 94048
SMILES:O1C(C2CC2C(C)=C)(C)C1c1ccc(COc2ccc(CCCCC)cc2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.567
CB1 binding score: -15.828
InChIKey:MGHDKHKWVXNJEM-UHFFFAOYSA-N
ID: 94049
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 94050
SMILES:c12c(c(O)cc(C)c1)C1C(C(C)(C)O2)OC(CCC=C(C)C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.58
InChIKey:MDJIMEPACZKBKO-UHFFFAOYSA-N
ID: 94051
SMILES:C(C)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(=C)CS2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.494
CB1 binding score: -14.774
InChIKey:SNCQGSBTYXVAEF-UHFFFAOYSA-N
ID: 94052
SMILES:C(CCCc1cc2c(c(O)c1)CC1C(O)(C)CCC(C(O)(C)CCC=C(C)C)OC1CO2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.655
CB1 binding score: -14.506
InChIKey:LWCLIWBOAQEESZ-UHFFFAOYSA-N
ID: 94053
SMILES:c1(O)cc(CCCCC)c(C(=O)O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 94054
SMILES:c1(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(=O)OC)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.541
InChIKey:ZVHXLYTZBFTNBN-UHFFFAOYSA-N
ID: 94055
SMILES:CC(=CC(=O)CC(C)CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.112
InChIKey:GMWPMPJTHHSTNB-UHFFFAOYSA-N
ID: 94056
SMILES:CC12Oc3c(c(O)cc(CCC(O)C)c3)CC1C(=C(C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.229
InChIKey:JJRFIFBVUXEUKW-UHFFFAOYSA-N
ID: 94057
SMILES:C1=C(COO)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 380.484
CB1 binding score: -15.922
InChIKey:PBWIDNCYYJNOIN-UHFFFAOYSA-N
ID: 94058
SMILES:c12c(c(OC)cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.7
InChIKey:CXDMDOGDTCMJBD-UHFFFAOYSA-N
ID: 94059
SMILES:COc1c(C2C=C(C)CCC2C(=C)C)c(O)cc(-c2c3c(cc(O)c2O)OC(C)(C)C(O)C3)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.573
CB1 binding score: -16.302
InChIKey:FXPDNEGMWPFPLO-UHFFFAOYSA-N