ID: 77008
SMILES:C12(C)OC1c1c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.641
InChIKey:GUEMVKZKDLDDMG-UHFFFAOYSA-N
ID: 77009
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(CCC=C(C)C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -12.313
InChIKey:MVAWXBNUCRTNQD-UHFFFAOYSA-N
ID: 77010
SMILES:c1(O)cc2c(c(CC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 312.453
CB1 binding score: -16.393
InChIKey:GVQOUXQKUINOJB-UHFFFAOYSA-N
ID: 77011
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77012
SMILES:C1(=C(C)C)C(=O)CC2(C)Oc3c(c(O)cc(CCC(O)C)c3)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.749
InChIKey:WYFHTASUAGNKBI-UHFFFAOYSA-N
ID: 77013
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.414
InChIKey:RAFFAFJLQYQYJJ-UHFFFAOYSA-N
ID: 77014
SMILES:C1C2C(C)(Oc3c(c(=O)c(CCC)cc(O)c32)C)CC(C(C)(C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.879
InChIKey:RGINLXQEKUCQQR-UHFFFAOYSA-N
ID: 77015
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 77016
SMILES:OC(c1c2c(ccc1CCCCC)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.583
InChIKey:LHJVXKKBUOCHEF-UHFFFAOYSA-N
ID: 77017
SMILES:C1C(C=O)C23C(CCCOC2(COC(=O)C)O3)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -14.784
InChIKey:UJNHRNAPOVZIQD-UHFFFAOYSA-N
ID: 77018
SMILES:CC1=CCC(C(C)=C)=C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.955
InChIKey:FAMNDSMJRJIFCD-UHFFFAOYSA-N
ID: 77019
SMILES:c1c(-c2c(O)cc(CCCC)c3c2OC(C)(C)C2CCC(C)(O3)O2)cccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -11.078
InChIKey:RLHAXQMUUQJBBX-UHFFFAOYSA-N
ID: 77020
SMILES:c12c(O)cc(CCCCC)cc1OC(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: 77021
SMILES:c1c(C2C(C(C)=C)C3c4c(O)cc(CCCCCO)cc4OC32C(C)=C)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.55
CB1 binding score: -14.028
InChIKey:NSODQJYVCNITFD-UHFFFAOYSA-N
ID: 77022
SMILES:C1(O)(C)CCC2(C(C)C)Oc3c(c(O)cc(CCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.929
InChIKey:QJZXZEOOAOVWDB-UHFFFAOYSA-N
ID: 77023
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)c(C(=O)OC(C)C)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.062
InChIKey:LAAOUYZDQTXAIX-UHFFFAOYSA-N
ID: 77024
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77025
SMILES:Oc1cc(CCC)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 77026
SMILES:O(C(C(C)c1cc(=O)c2c(cc1CCCCC)OC(C)(C)C1C(=CC(C)CC1)C2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -10.111
InChIKey:NOYYDSPILJLDJA-UHFFFAOYSA-N
ID: 77027
SMILES:NCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 271.404
CB1 binding score: -17.133
InChIKey:UOUMPLQAZZBROG-UHFFFAOYSA-N
ID: 77028
SMILES:c1(C(CC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -16.547
InChIKey:OPFQDJCBRUHAQM-UHFFFAOYSA-N