ID: 85975
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 85976
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 85977
SMILES:C1(C)=CC2C(C(C)(C)c34c(cc(CCCCC)c3)OC(C)(C)C4C2)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.452
InChIKey:KZKZPTFMUONBIR-UHFFFAOYSA-N
ID: 85978
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(CC1C=C(CCC=C(C)C)CC1C)CC2CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.723
CB1 binding score: -16.122
InChIKey:MSNKVQUILHFJDN-UHFFFAOYSA-N
ID: 85979
SMILES:C1C(OC(=O)CO)C(C)=CCCC(C)=CC2C1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.678
InChIKey:ARWZONXVOXURGE-UHFFFAOYSA-N
ID: 85980
SMILES:c1c(OC)cc(O)cc1CC1(C)C2C(=O)C=C(C)CC2C(CCC=C(C)CO)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.871
InChIKey:UGLBVJWTRAQPEX-UHFFFAOYSA-N
ID: 85981
SMILES:COc1c(O)ccc2c1CC1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.677
InChIKey:KGIJTBQNWHDDPU-UHFFFAOYSA-N
ID: 85982
SMILES:C1(C)=C[CH](c2c(O)ccc(CCC)c2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.823
InChIKey:PFMBVZFTLSZSLU-UHFFFAOYSA-N
ID: 85983
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc2c3C(=O)OC2CO)C1CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.874
InChIKey:VIBHLFMCTMPTGN-UHFFFAOYSA-N
ID: 85984
SMILES:c12c(oc(=O)cc1)c1c(cc(CCCCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.246
InChIKey:SFMQPRFRIGWDEJ-UHFFFAOYSA-N
ID: 85985
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85986
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C2C(C(C)C)C(O)OC2(C(C)(O)CC13)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -16.438
InChIKey:LSHKZYLIQLTNCP-UHFFFAOYSA-N
ID: 85987
SMILES:C(O)C1=CC2c3c(c(O)cc(CCCCC)c3)OC(C(C)(C)O)CC2(C)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.605
InChIKey:JENNLWWHKUBDCT-UHFFFAOYSA-N
ID: 85988
SMILES:C(c1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.303
InChIKey:MTKKHOSJZOYPPN-UHFFFAOYSA-N
ID: 85989
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C=C(COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 85990
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C2(C)C)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.568
CB1 binding score: -15.282
InChIKey:CZLLSHFVPWKKSD-UHFFFAOYSA-N
ID: 85991
SMILES:C(CCCc1c(C(C)=O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -19.053
InChIKey:VQJXZTSBWBUYAF-UHFFFAOYSA-N
ID: 85992
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 85993
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2C2C1CCC(O)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -18.15
InChIKey:GBUZYFDRTRVSDO-UHFFFAOYSA-N
ID: 85994
SMILES:C12c3c(c(CCCCC)cc(O)c31)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.015
InChIKey:AMQTVUXEDZDUAB-UHFFFAOYSA-N
ID: 85995
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N