ID: 63085
SMILES:O=C1C2C3C(C(CC(C)C)=C1)c1c(cc(CCCCC)cc1O)OC3(C)CCC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -14.543
InChIKey:YCZUAFHNKQWSFZ-UHFFFAOYSA-N
ID: 63086
SMILES:CC1c2c(cc(C)cc2O)OC(C)(CCC=C(C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 304.43
CB1 binding score: -16.347
InChIKey:XTMOONBCAWMYBF-UHFFFAOYSA-N
ID: 63087
SMILES:C(C)(=O)OC(C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.517
InChIKey:XDNRYEJLHOMPCA-UHFFFAOYSA-N
ID: 63088
SMILES:C1=C(CCl)CCC(C(C)CCC=C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 419.049
CB1 binding score: -15.49
InChIKey:XYDGBDHANPUDAH-UHFFFAOYSA-N
ID: 63089
SMILES:C1=CC(C)(CC=CC(C)(O)C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.81
InChIKey:SZYKXWKCBRZDMT-UHFFFAOYSA-N
ID: 63090
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(OC4OC(CO)C(O)C(O)C4O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -17.362
InChIKey:SAAFXEQPFHGQNP-UHFFFAOYSA-N
ID: 63091
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 63092
SMILES:C(C)CCCc1cc2c(c3c1OC1C(C)COC1c1c(cc(O)cc1CCC)O3)CC(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -13.123
InChIKey:QDZDPQHCRORYMQ-UHFFFAOYSA-N
ID: 63093
SMILES:C(=CC(=CCc1c(O)c(C)cc(O)c1)C)c1c(CO)cc(O)c(CC2=CCC(C)(OC(=O)C)CC2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: -15.987
InChIKey:IXOROIKOLWRVSO-UHFFFAOYSA-N
ID: 63094
SMILES:O=C(OCC)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.94
InChIKey:SRMQLQKMDGBSOF-UHFFFAOYSA-N
ID: 63095
SMILES:C(CCCCCCCCCC(OCc1cc(O)c2c(c1C(O)=O)OC(C)(C)C1CCC(C)=CC21)C(O)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.729
CB1 binding score: -14.616
InChIKey:YGFRSOVJZWGOMG-UHFFFAOYSA-N
ID: 63096
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C3C(C(C)C2)CCC(C)(OC(=O)C)C3C(CC(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.774
CB1 binding score: -14.631
InChIKey:HNLSBTXJQQJJHB-UHFFFAOYSA-N
ID: 63097
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 63098
SMILES:C1(C(=C)C)CCC(=C)CC1c1c(O)cc(CCC(O)CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.432
InChIKey:JNQKFJKCOIOPCQ-UHFFFAOYSA-N
ID: 63099
SMILES:C1(C)(CCC=C(C)C)Cc2c(cc3c(c2OC)OC(C)(C)C=C3)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.424
InChIKey:BHCUFINFMPEUNB-UHFFFAOYSA-N
ID: 63100
SMILES:C1(C(C)=C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 63101
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 63102
SMILES:C(=CCC(C)(C)O)C(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.404
InChIKey:WWBBSUXJVMTHPP-UHFFFAOYSA-N
ID: 63103
SMILES:C1CC(C)=CC(c2c(O)ccc(CCC(O)=O)c2)C1C(=CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.221
InChIKey:PPNYLFOYYSQIRS-UHFFFAOYSA-N
ID: 63104
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C3C(CCC13)C(N=C=S)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 413.627
CB1 binding score: -11.609
InChIKey:ABOCBHPMSYIHMG-UHFFFAOYSA-N
ID: 63105
SMILES:C(NCC(O)c1ccc(C#Cc2c(O)cc(CCCCC)cc2O)c(C2C=C(C)CCC2C(C)=C)c1OCCCC)(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 585.829
CB1 binding score: -15.536
InChIKey:WWQCSMSWYDIWAS-UHFFFAOYSA-N