ID: 131104
SMILES:c1(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(OC)=O)c(O)c(C(C)CC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.534
InChIKey:IELSJXJWQQKVPF-UHFFFAOYSA-N
ID: 131105
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1OC1=C2c3cc(C)c(O)c(O)c3C=CC(C)(CCC=C(C)C)C2CC=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 664.971
CB1 binding score: -18.365
InChIKey:FQNPALLAYYGVFP-UHFFFAOYSA-N
ID: 131106
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 131107
SMILES:C1(=O)CC2C(C)(C)Oc3cc(CCCCCc4cc(OC)c(O)cc4)cc(O)c3C2C=C(C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -13.63
InChIKey:RWGSMBBCXRXJSP-UHFFFAOYSA-N
ID: 131108
SMILES:C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 131109
SMILES:Oc1c(C2C(C(O)(C)C)CCC(C)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.309
InChIKey:KQWJMEAIWXADAY-UHFFFAOYSA-N
ID: 131110
SMILES:C12C(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 131111
SMILES:c12c(cccc1CCCCC)OC1(C)C3(CC(C)(C)C(Br)C3C2O)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 435.402
CB1 binding score: -14.862
InChIKey:RDFRVVWSBPLDIQ-UHFFFAOYSA-N
ID: 131112
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.852
InChIKey:SFUFRHMPPGZMCA-UHFFFAOYSA-N
ID: 131113
SMILES:c1(O)cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.099
InChIKey:YYJVPAABBWNLEP-UHFFFAOYSA-N
ID: 131114
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2=CC(C)(O)CC1OC)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.399
InChIKey:WVYOPMVUXXKVMY-UHFFFAOYSA-N
ID: 131115
SMILES:C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.522
InChIKey:MFVPLWAEUTVRGF-UHFFFAOYSA-N
ID: 131116
SMILES:C=C(C1COc2cc(CCCCC)cc(O)c2C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.549
InChIKey:RBSMXWUFIWRRNJ-UHFFFAOYSA-N
ID: 131117
SMILES:C(C1CCC(C)=CC1c1cc(CCC(C)CCCc2ccccc2)cc(O)c1)CCC(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: -13.442
InChIKey:ZCFZIXVXGYSWSJ-UHFFFAOYSA-N
ID: 131118
SMILES:C(C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.52
InChIKey:JGNARUBYBBOFIW-UHFFFAOYSA-N
ID: 131119
SMILES:C(Cc1cc(O)c(C2C(C(C)(O)CCC=C(C)C)CCC=C2C)c(OC)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -17.102
InChIKey:MJGJYPDQYCDZST-UHFFFAOYSA-N
ID: 131120
SMILES:c1(CCN)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -13.522
InChIKey:ZPNCFEUPETYOFE-UHFFFAOYSA-N
ID: 131121
SMILES:c1(OC)c(CC=C(CCC=C(C)C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.187
InChIKey:ZKXZJUZIDUHJLH-UHFFFAOYSA-N
ID: 131122
SMILES:c1c(C(CC)=O)cc(O)c(C2C=C(C)CCC2C(=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.19
InChIKey:SEIHJYDQJGVOIG-UHFFFAOYSA-N
ID: 131123
SMILES:C(C)(C)C1=CC2C(C)(Oc3c1c(CCCCC)cc(OC)c3OC)CCC(O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -13.679
InChIKey:PQVXBWWXNUZIPH-UHFFFAOYSA-N
ID: 131124
SMILES:c1c(CCCCC)cc2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N