ID: 59053
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 59054
SMILES:C1(O)C(C)(C)Oc2cc(C)cc(O)c2C2=CC3(O)C(C)(C2C1)COC(C)(C)CCC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.58
InChIKey:DGWVBGHEPLALGE-UHFFFAOYSA-N
ID: 59055
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CC=C1C(C)(C)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.165
InChIKey:FIIKBUSNGNKOAV-UHFFFAOYSA-N
ID: 59056
SMILES:OC(C(CC=C(C)C)CC(Cc1cc2c(cc1O)OC1(C)C34CC=C(C)C2CC3=C(C)C(C)CC14)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.711
CB1 binding score: -15.842
InChIKey:DCSXUZOLSBQTGJ-UHFFFAOYSA-N
ID: 59057
SMILES:Oc1c(C)c2c(c(C)c1)C1CC(CO)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.604
InChIKey:IPMSFLAIFNREQU-UHFFFAOYSA-N
ID: 59058
SMILES:Oc1c2c(cc(C(C(C(CC)C)=O)C)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.511
InChIKey:PPJIWFUSBDIWIA-UHFFFAOYSA-N
ID: 59059
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 59060
SMILES:C1(C)(C)CCCC2(C)c3c(OC(C)=O)c(O)ccc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -12.551
InChIKey:BMIVDKNDUIYUMY-UHFFFAOYSA-N
ID: 59061
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)ccc3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 256.389
CB1 binding score: -17.194
InChIKey:WIOSFWDNUILLER-UHFFFAOYSA-N
ID: 59062
SMILES:C1C2(O)CC3(C)C(C(CO)(C)CCC3O)C2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.927
InChIKey:KBCYVAFEGFMSLK-UHFFFAOYSA-N
ID: 59063
SMILES:c1(O)cc(C(CCCC)OC(=O)C(C)=CC)c(O)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.708
InChIKey:WHQJNGUDIGVPQK-UHFFFAOYSA-N
ID: 59064
SMILES:C1=C(C)C(O)CC2C(C)(C)Oc3c1c(O)cc(CCC)c32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.762
InChIKey:YEKVPPIYFAJPHK-UHFFFAOYSA-N
ID: 59065
SMILES:C1Cc2c(OC)cc(CCCCC)cc2OC1(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.438
InChIKey:LOOMEFUAWVJRDE-UHFFFAOYSA-N
ID: 59066
SMILES:Oc1c(C(=O)C(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17
InChIKey:WQYRNJBNQPTOAV-UHFFFAOYSA-N
ID: 59067
SMILES:CC1=CCC2C(C1)c1c(cc(C)c(Br)c1C)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.285
CB1 binding score: -16.448
InChIKey:CKPZMVZOMKVDRU-UHFFFAOYSA-N
ID: 59068
SMILES:CC1C(Cc2cc(OC)cc(OC)c2)(COC(=O)C)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.677
InChIKey:JWPCAAVYDYGXQZ-UHFFFAOYSA-N
ID: 59069
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 59070
SMILES:O(C(=O)C)CC1(C)C(C)=CCCC1c1c(O)ccc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.436
InChIKey:HJUVJJFCHXMOCB-UHFFFAOYSA-N
ID: 59071
SMILES:C1(C)=CCC2C(C1)C(C)(C)Oc1c2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -14.925
InChIKey:FPVKMOCGUJEJAD-UHFFFAOYSA-N
ID: 59072
SMILES:C(Cc1cc(OC)c(C2C=C(C)CCC2C(=C)C)cc1O)=CC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.336
InChIKey:LQQYBTFHZIALNN-UHFFFAOYSA-N
ID: 59073
SMILES:CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N