ID: 117055
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 117056
SMILES:C12(O)C(C(C)C)CCC(C)(C1)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.015
InChIKey:AHTMIFKQFGXQOP-UHFFFAOYSA-N
ID: 117057
SMILES:O(C(=O)C)Cc1c2c(ccc1C)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.36
InChIKey:CAKRJJLYQGEUES-UHFFFAOYSA-N
ID: 117058
SMILES:C1C(O)C(C)C2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.519
InChIKey:FDKMTCWWIJGWCT-UHFFFAOYSA-N
ID: 117059
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3O)C1CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.329
InChIKey:MOEZDAIXHIVWTJ-UHFFFAOYSA-N
ID: 117060
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C(=O)O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 117061
SMILES:C1(O)C(C)=CC(c2c(OC)cc(CCCCC)c(C(=O)O)c2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.367
InChIKey:DDEQJCQAJDEGEJ-UHFFFAOYSA-N
ID: 117062
SMILES:C(=CCc1c2c(c(O)cc1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -17.592
InChIKey:BCXKPOALMWJVGL-UHFFFAOYSA-N
ID: 117063
SMILES:C(c1ccccc1)(OC1(C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -14.605
InChIKey:QUBBERPYBAMKKM-UHFFFAOYSA-N
ID: 117064
SMILES:c1(CS(=O)(=O)O)cc2c(cc1C)OC(CCC(C(C)=C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.48
CB1 binding score: -12.916
InChIKey:ZIBGJHMBMVNFKY-UHFFFAOYSA-N
ID: 117065
SMILES:c1(CCCCO)cc2c(c(O)c1)C1(C(O)C(=O)CC1C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.331
CB1 binding score: -15.422
InChIKey:UKHSIZQAOMOEHK-UHFFFAOYSA-N
ID: 117066
SMILES:C12CCC(C)=CC1c1c(O)cc(C(O)=O)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.309
InChIKey:KYBSQVMEBKBMOK-UHFFFAOYSA-N
ID: 117067
SMILES:c1c(C=O)c(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -15.306
InChIKey:NCSYBEYTKREZDK-UHFFFAOYSA-N
ID: 117068
SMILES:C(c1c(C)c2c(c(O)c1)C1C(C)(O2)CCC1C(C)=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -11.924
InChIKey:ZEEHRYLDCQMDOY-UHFFFAOYSA-N
ID: 117069
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.924
InChIKey:ZXXSCXVXHVWSKP-UHFFFAOYSA-N
ID: 117070
SMILES:c12cc(CCCCC)cc(O)c1C1C(=C(C)C)CCC(C)(O2)N1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -11.224
InChIKey:DZYRLWPCJIIWSB-UHFFFAOYSA-N
ID: 117071
SMILES:C12C(OCC(C)CC)c3c(O)cc(CCCCC)cc3OC1(C)CCC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.608
InChIKey:YIWHGZRQQHETIE-UHFFFAOYSA-N
ID: 117072
SMILES:C(Cc1cc2c(c(O)c1)CC1C(C(=C)CCC=C(C)C)(O2)C(O)=C(C)C1=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -11.078
InChIKey:MYKLHJSWPVIKJQ-UHFFFAOYSA-N
ID: 117073
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 117074
SMILES:CC1(C)C(CCC2(C)C=Cc3c(c(C)cc(O)c3OC)O2)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.396
InChIKey:LVZREZAVKLIHJR-UHFFFAOYSA-N
ID: 117075
SMILES:CC1(C)C2CC=C(CO)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N