ID: 23206
SMILES:O=S(O)(Oc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.396
CB1 binding score: -14.487
InChIKey:PJXVZULYTMAGRQ-UHFFFAOYSA-N
ID: 23207
SMILES:O1c2c(cc(CCCCC)cc2O)C=C(C)CCC=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.772
InChIKey:WRPAZGVKXWICEA-UHFFFAOYSA-N
ID: 23208
SMILES:c1(O)cc(CCCC)cc2c1OC(C)(C)C1CC=C(C)C(=O)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -12.837
InChIKey:FFRXYLFDZMCYEI-UHFFFAOYSA-N
ID: 23209
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.334
InChIKey:YNTJIUPWEXILMG-UHFFFAOYSA-N
ID: 23210
SMILES:C1=CC(C)(C)Oc2cc(CCCCCO)c(O)c(CC=C(C)C)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.293
InChIKey:KHTCPOPOWBEFRK-UHFFFAOYSA-N
ID: 23211
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 23212
SMILES:OC1COc2c(c(O)cc(CCCCC)c2)C1OCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -17.123
InChIKey:JATSQJMIJZEIGV-UHFFFAOYSA-N
ID: 23213
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(C(=O)C)c(=O)c(O)c(c32)C1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -14.239
InChIKey:PSPZCMZSFLTCDF-UHFFFAOYSA-N
ID: 23214
SMILES:O1c2cc(CCCCC)c(C=O)c(O)c2CC1CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.802
InChIKey:UMBVYXQKOKNIAK-UHFFFAOYSA-N
ID: 23215
SMILES:C1(C)=CC2c3c(OC)cc(C)cc3OC2(C)CCC(C(C)C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.186
InChIKey:GNRQDVBNBSEEHQ-UHFFFAOYSA-N
ID: 23216
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 23217
SMILES:C12C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c31C(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.929
InChIKey:XGPQEEGIRSACPT-UHFFFAOYSA-N
ID: 23218
SMILES:O1CC2=C(OC)C3C(CC=C2C1=O)C(C)(CCC=C(C)C)OC(C)(C)C3O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.838
InChIKey:GNOUGLXSHOGLBR-UHFFFAOYSA-N
ID: 23219
SMILES:O(c1c(CC=C(CCC=C(C)C)C)c(O)c(CC=C(C)CO)cc1O)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.566
InChIKey:NOPBHFIJJKSCIG-UHFFFAOYSA-N
ID: 23220
SMILES:C(CCCC)CCCCCCCCCCc1cc(OC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.766
CB1 binding score: -14.39
InChIKey:QTRYWXATAXNJAY-UHFFFAOYSA-N
ID: 23221
SMILES:C12C(=C)COc3c(c(O)cc(CCCCC)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.979
InChIKey:BFTSHFQNFGOECY-UHFFFAOYSA-N
ID: 23222
SMILES:C123C(C4C(c5c(cc(CCCCC)cc5O)OC4(C)C)O1)OC1C(CC(C(C)=C)CCC1(O)C)C(=O)C2C(C)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -18.11
InChIKey:XUYGGNVTBHMDRB-UHFFFAOYSA-N
ID: 23223
SMILES:CC1CC2c3c(O)cc(CCCCC)cc3OC3(C)OC2C(CC1=O)C(C(C)C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.523
InChIKey:OBSOOAJCZOZZHV-UHFFFAOYSA-N
ID: 23224
SMILES:C1C2C3(OOC1(C)CC3)C(C)(C)Oc1c-2c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.063
InChIKey:WCZZKPKXJVCNFU-UHFFFAOYSA-N
ID: 23225
SMILES:CCCCCCc1cc(CC=C(CCC=C(C)C)C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.43
InChIKey:DOKRBMNNIIGHQA-UHFFFAOYSA-N
ID: 23226
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C=C(COC(=O)C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.834
InChIKey:FLIQSOQAAQITNX-UHFFFAOYSA-N