ID: 87949
SMILES:C=C(C)C1CCC(O)(C)C2Oc3c(c(O)c(C(=O)OC)c(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.869
InChIKey:ZXRJRQBOVPOZJL-UHFFFAOYSA-N
ID: 87950
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1CCC3(CC1)C(=O)OC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: Not available
InChIKey:GCZRSVYCKLGMCH-UHFFFAOYSA-N
ID: 87951
SMILES:CC1(C=C)Oc2c(c(OC)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -15.428
InChIKey:HPOYZRCIYKPFPT-UHFFFAOYSA-N
ID: 87952
SMILES:C12c3c(cc(CCCCC)cc3O)OC3(C(=O)O)C(C1O)C(C)(C)C(CC3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.89
InChIKey:KBJUJNWXGWWWAM-UHFFFAOYSA-N
ID: 87953
SMILES:Oc1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 87954
SMILES:O(c1cc(CC=C)cc(O)c1C1C=C(C)CCC1C(C)=C)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -13.785
InChIKey:AYIYVTRZQGXWEU-UHFFFAOYSA-N
ID: 87955
SMILES:C1C2C3(C)C(c4c(cc(CCCCO)cc4O)O3)CC1(C)C(Br)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 435.402
CB1 binding score: -19.791
InChIKey:RTSKLXCVCXGHQD-UHFFFAOYSA-N
ID: 87956
SMILES:C(CCCCc1ccc2c(c1)C1C=C(C)CCC1C(C)C2)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.569
CB1 binding score: -16.2
InChIKey:DDZADAFSTRFHNJ-UHFFFAOYSA-N
ID: 87957
SMILES:CC(CCC=C(CCC(C(C)(O)C)O)C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -16.968
InChIKey:XDIDRMFRHYQDGF-UHFFFAOYSA-N
ID: 87958
SMILES:C1(Cc2c(O)c(C(=O)O)cc(CCCCC)c2)(C)CCC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -12.784
InChIKey:XYZFKLFWCMZNCZ-UHFFFAOYSA-N
ID: 87959
SMILES:C1(C)(c2c(OO)cc(CCCCC)cc2)CCC(OC(C)=O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -18.295
InChIKey:NVRQDMAJFGJDGU-UHFFFAOYSA-N
ID: 87960
SMILES:C1(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.74
InChIKey:ACHYTYLWIDCVGA-UHFFFAOYSA-N
ID: 87961
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1=CCC(C)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.143
InChIKey:MSDIZNNWYHVJNM-UHFFFAOYSA-N
ID: 87962
SMILES:c1(CCCCC)c2c(cnc1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -14.829
InChIKey:NJBGYADFWILRIO-UHFFFAOYSA-N
ID: 87963
SMILES:CC1(C)C(CCC(C)=CCOc2c(O)c(C(O)=O)c(CCCCC)cc2O)C(=C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.693
InChIKey:OAIIQZSKYVQLQP-UHFFFAOYSA-N
ID: 87964
SMILES:C12C(C)(C)Oc3c(c(OC)c4c(c3C)C(=O)N(C)C4=O)C1CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 355.434
CB1 binding score: -17.426
InChIKey:KZWOUPZBVOCXFQ-UHFFFAOYSA-N
ID: 87965
SMILES:CC1(C)Cc2c(C(=O)O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -17.309
InChIKey:YCKPCONLTZLURE-UHFFFAOYSA-N
ID: 87966
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 87967
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.821
InChIKey:CUWJKLPAOPPJHN-UHFFFAOYSA-N
ID: 87968
SMILES:C(c1c(O)cc(OC)c2c1OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -12.569
InChIKey:INGFFIJAPSVQCQ-UHFFFAOYSA-N
ID: 87969
SMILES:C1(C)(C)Oc2c(c(O)cc(C)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N