ID: 43
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 44
SMILES:COc1c(CCCCC)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.929
InChIKey:QYMXVEJKQRAESF-UHFFFAOYSA-N
ID: 45
SMILES:C1(=O)c2c(c(C(=O)O)c(CCCCC)cc2O)OC(C)(CCC=C(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.073
InChIKey:PXASKMNNJRVAAC-UHFFFAOYSA-N
ID: 46
SMILES:Oc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 47
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)ccc(CCC(=O)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.596
InChIKey:XMEKZWSHAHWCBY-UHFFFAOYSA-N
ID: 48
SMILES:C(c1c(CCCCC)cc2c(c1O)OC(C)(C)C1C2C=C(C(=O)OC)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.933
InChIKey:ANVRRRXSKFJJOU-UHFFFAOYSA-N
ID: 49
SMILES:C1CC2=C(OC(C)(C)C3C(O)CC(C)C13)C(=O)C(=C(C)C(C(CC)C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -15.947
InChIKey:WZZIXUQLPGLEQW-UHFFFAOYSA-N
ID: 50
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 51
SMILES:CC1C2=CC3C(C34C(C)CC2(C2=CC(=CC(C)(C)N)CO2)OC4=O)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 505.655
CB1 binding score: -16.078
InChIKey:UGKDCGKVDQHXOP-UHFFFAOYSA-N
ID: 52
SMILES:C1(c2c(O)cc(CCCC)cc2)C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -17.81
InChIKey:KVDBNLOKWYLSLD-UHFFFAOYSA-N
ID: 53
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 54
SMILES:O=C1C(c2c(C(=O)O)cc(CCCCC)cc2O)OC(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -14.317
InChIKey:LCKNAKLEZVDFCR-UHFFFAOYSA-N
ID: 55
SMILES:O=C1c2c(O)cc(CCCCC)cc2C2C(O2)C2C(C)(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -13.544
InChIKey:QKKJDSYNGJBWQT-UHFFFAOYSA-N
ID: 56
SMILES:C(CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.07
InChIKey:FFPHERDWTNEKJY-UHFFFAOYSA-N
ID: 57
SMILES:CC1(CCC=C(C)C)C(Cc2c(O)c(OC(=O)C)cc(CCC)c2)C(C)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.189
InChIKey:VNLCCSFRFVEBAF-UHFFFAOYSA-N
ID: 58
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.26
InChIKey:YYFRYOLDECBXLN-UHFFFAOYSA-N
ID: 59
SMILES:C(c1cc(OC)c2c(c1)OC(C)(C)C1CCC(=C)CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.264
InChIKey:ZJGZRASSVXZFIX-UHFFFAOYSA-N
ID: 60
SMILES:C(CCC)Cc1cc(O)c2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.266
InChIKey:GEEMMNOKGSQDQI-UHFFFAOYSA-N
ID: 61
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 62
SMILES:CC(C(=O)c1c(O)c(C=O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.445
InChIKey:JSPFAESXEAXJNK-UHFFFAOYSA-N
ID: 63
SMILES:CC1c2c(cc(C)c(O)c2)-c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.197
InChIKey:OHDXBYOMIKYWHS-UHFFFAOYSA-N