ID: 54097
SMILES:OC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 54098
SMILES:c12c3c(cc(C)c1-c1c(cc(C)cc1O)OC2(CCC=C(C)C)C)OC(C)(C)C=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.55
CB1 binding score: -13.313
InChIKey:ONHVZHFEMCXYEO-UHFFFAOYSA-N
ID: 54099
SMILES:c1(C(C)C)c(C2(O)OC(C(C)O)(C)CC2)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -16.533
InChIKey:BVMFZAXEDULMJY-UHFFFAOYSA-N
ID: 54100
SMILES:C=C(C)C1CCC2(CC(OC)=O)Oc3c(c(O)cc(CCCCC)c3)C3C=C(CO)CCC2C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -15.522
InChIKey:PXSKFHFYSFKRCR-UHFFFAOYSA-N
ID: 54101
SMILES:O(c1cc2c(c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -14.086
InChIKey:VKSQEODJMDGBOW-UHFFFAOYSA-N
ID: 54102
SMILES:C1C(C)=CC2c3c(O)c(C(=O)O)c(CCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.521
InChIKey:IQSYWEWTWDEVNO-UHFFFAOYSA-N
ID: 54103
SMILES:c12c(O)c(CC=C(C)C)c(O)c(C(CC(C)C)=O)c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.231
InChIKey:RSSYSUFEGLVDKI-UHFFFAOYSA-N
ID: 54104
SMILES:CC(=CCc1cc2c(c(OC)c1)C=CC(C)(C)O2)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.468
InChIKey:RMIPSMPRFAIONM-UHFFFAOYSA-N
ID: 54105
SMILES:C12c3c(cc(CCC)cc3O)OC3(C1O2)C(C)CCC(C(C)C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.51
InChIKey:LKBGKPMMQNJXIW-UHFFFAOYSA-N
ID: 54106
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 54107
SMILES:CC(=CCCc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.288
InChIKey:PFQPGATZOWAYRN-UHFFFAOYSA-N
ID: 54108
SMILES:C(CCCC)c1cc2c(c(O)c1)C1(O)CC(C2)c2c(cc(CCC(O)CC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: Not available
InChIKey:WBTBQXSMFUXRHO-UHFFFAOYSA-N
ID: 54109
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(C(C=C)(C)C)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.015
InChIKey:PKRAUYLCOFLUHM-UHFFFAOYSA-N
ID: 54110
SMILES:O(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CCC12)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.663
InChIKey:DXDPXSYNLXOXFG-UHFFFAOYSA-N
ID: 54111
SMILES:CCCCCc1cc2c(c(O)c1)C1C3C(C4C(O1)(C1C=C(C)CCC1C(C)(C)O4)C3)C(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -15.708
InChIKey:YSBBVLDOXZKQBU-UHFFFAOYSA-N
ID: 54112
SMILES:CC1(C)CCC(c2c3c(c(O)cc2O)cc(CCCCC)cc3O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.981
InChIKey:OTAFIGTWKMYURA-UHFFFAOYSA-N
ID: 54113
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -18.775
InChIKey:RAJZYPNAKPJLJI-UHFFFAOYSA-N
ID: 54114
SMILES:CC1(C)C(C(=O)O)C2(c3c(O)cc(CCCCC)cc3O1)CC=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -11.253
InChIKey:ZCSCOKXAIRSFTG-UHFFFAOYSA-N
ID: 54115
SMILES:C1=CC(C)C2c3c(cc(CCCCC)cc3OC(=O)C)CC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -12.949
InChIKey:ZFPDAFDSSRRGBM-UHFFFAOYSA-N
ID: 54116
SMILES:C12=C(C)CCC1C(C)COc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.335
InChIKey:OVCKOBUCJDABEQ-UHFFFAOYSA-N
ID: 54117
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)C3CCC12C=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.26
InChIKey:MIWLVPTZGCNLBQ-UHFFFAOYSA-N