ID: 50107
SMILES:c1(O)c(C=O)c2c(c(O)c1CCCCC)CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.199
InChIKey:FRFGXZGPTRIVAH-UHFFFAOYSA-N
ID: 50108
SMILES:CC1(C)C2CC=C(C)CC2c2c(c(C(=O)OC)cc(O)c2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.593
InChIKey:ROWMUKAZSGDNQM-UHFFFAOYSA-N
ID: 50109
SMILES:C(CCCCCCC)CCc1cc2c(c(O)c1)C1C(CC=C(CO)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.732
InChIKey:PBWWSVQIHHSBJC-UHFFFAOYSA-N
ID: 50110
SMILES:OC1C(O)C(Oc2cc(OC(C)=O)c3c(c2)OC(C)(C)C2C3C=C(C)CC2)OC(COC(C)=O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.548
CB1 binding score: -14.741
InChIKey:JZQBPXCIALHHKR-UHFFFAOYSA-N
ID: 50111
SMILES:C(CCC)c1cc2c(c(O)c1)C1C(C(O)=O)CCC(C=C)(C)C1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.171
InChIKey:FSMWBHZXHKEZJO-UHFFFAOYSA-N
ID: 50112
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 50113
SMILES:C12CCC(C)=CC1c1c(O)cc(O)c(C(=O)OC)c1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -17.317
InChIKey:RDEIUWNDZAQWKD-UHFFFAOYSA-N
ID: 50114
SMILES:C(CCCC)c1cc2c(c(OC(C)=O)c1OC(=O)C)OC1(C)CCC=C(C)CCC(C(C)=C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -13.72
InChIKey:OXBGMTRYJZQABF-UHFFFAOYSA-N
ID: 50115
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 50116
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 50117
SMILES:OC(C12C3CC1C(CO)=CC3c1c(O)cc(CCCCC)cc1O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.73
InChIKey:JGWAVIOPIIGESP-UHFFFAOYSA-N
ID: 50118
SMILES:CC(=C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 50119
SMILES:C(CC(CC=C(C)C)C(=C)C)C1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.98
InChIKey:SEJBYMAARNEYSJ-UHFFFAOYSA-N
ID: 50120
SMILES:C1CC(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 50121
SMILES:O(C(=O)C)C1C2C(C(C)(C)CCCC2(C)O)Oc2c1c(O)cc(CC(C)(C)O)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -16.947
InChIKey:MDOHOIOUOCQSQM-UHFFFAOYSA-N
ID: 50122
SMILES:C(CCC1(C)Oc2cc(C)c(C#C)c(O)c2C2CCC(C)(C)CC21)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 368.561
CB1 binding score: -14.049
InChIKey:WSLYUCGPNQFVHS-UHFFFAOYSA-N
ID: 50123
SMILES:c1ccc(OC)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.269
InChIKey:BGKGTAMSCWHFJU-UHFFFAOYSA-N
ID: 50124
SMILES:C1C2(C(C)C)CCC(C)(C1)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.348
InChIKey:NFORNEKFMZVJOM-UHFFFAOYSA-N
ID: 50125
SMILES:C1(C(C)C)CCC(O)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: Not available
InChIKey:WNSDOCHONVLVLM-UHFFFAOYSA-N
ID: 50126
SMILES:Oc1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 50127
SMILES:C(CCCCCCCCCCCCc1cc2c(cc1C)OC(C)(C)C1C2CC(C)=CC1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.739
CB1 binding score: -16.763
InChIKey:SZHUSPPFLBSTQZ-UHFFFAOYSA-N