ID: 100024
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100025
SMILES:CC(C)=CCC1=C(CCCCC)C(=O)C2(C)C3C1C2C(C)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.964
InChIKey:IFTLSBVUSSNFEV-UHFFFAOYSA-N
ID: 100026
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1CC(C(C)(C)O2)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.816
InChIKey:YJZIDOGZKGNTLN-UHFFFAOYSA-N
ID: 100027
SMILES:c1cc(OC)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.764
InChIKey:NRRZXOLZVDIGDT-UHFFFAOYSA-N
ID: 100028
SMILES:C1(C)(CC(O)C=C(C)C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.956
InChIKey:JEKXHWPGFNFNEO-UHFFFAOYSA-N
ID: 100029
SMILES:c1ccc2c(c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.748
InChIKey:DUNKDOSBWKYQEH-UHFFFAOYSA-N
ID: 100030
SMILES:c1c(CCCCC)cc2c(c1O)C1=C(CC3C(C)(CCCC3(C)C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.473
InChIKey:BGKLZHNVPIIYLR-UHFFFAOYSA-N
ID: 100031
SMILES:O=CC1(C)Oc2cc(CCCCC)cc(OC)c2C2CC(C)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.284
InChIKey:DFKPZWNPYQTMTQ-UHFFFAOYSA-N
ID: 100032
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 100033
SMILES:C1CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.126
InChIKey:FOBWFPSNRYKGTO-UHFFFAOYSA-N
ID: 100034
SMILES:C12(O)C(c3c(O)cc(CCCCC)cc3OC1(C)C)C=C(C=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.7
InChIKey:OETLFEZIYZSBNH-UHFFFAOYSA-N
ID: 100035
SMILES:C(C)(C)CCCC(=CCc1cc(O)c(C)cc1O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.641
InChIKey:MISCOCGKINEBPQ-UHFFFAOYSA-N
ID: 100036
SMILES:C1CC(C)C2=C(c3c(O)cc(CCCCC)cc3OC2(C)CCC=C(C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -13.763
InChIKey:LLDRWUIPNDHYSB-UHFFFAOYSA-N
ID: 100037
SMILES:o1c2cc(CCCCC)cc(O)c2c(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.708
InChIKey:ZSMHHTLBFSMBDM-UHFFFAOYSA-N
ID: 100038
SMILES:CC(C)CCCC(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -15.244
InChIKey:NHKDZZXOUQAJCM-UHFFFAOYSA-N
ID: 100039
SMILES:C1c2c(ccc(C)c2)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -11.519
InChIKey:UHJVNAPPAFYMAS-UHFFFAOYSA-N
ID: 100040
SMILES:O=C(O)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 100041
SMILES:O1C(C)(C)C2C(c3c(cc(CCCCC)cc3O)O2)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.041
InChIKey:RQRKNYMCAOBFQV-UHFFFAOYSA-N
ID: 100042
SMILES:C1(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 100043
SMILES:C(Cc1c(CCCC)cc2c(c1O)C1C(CC(C)(C)O1)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.044
InChIKey:GQPLSWMBWLVSLS-UHFFFAOYSA-N
ID: 100044
SMILES:C(C=C(C)C)CC(=CCc1cc(O)cc(C)c1OC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.936
InChIKey:HBMZKHKKECAQEH-UHFFFAOYSA-N