ID: 54013
SMILES:O(CC)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.074
InChIKey:GTANZHVAHBQKEJ-UHFFFAOYSA-N
ID: 54014
SMILES:O1C(C)(CCC=C(CCC(C(=C)C)O)C)C=Cc2c1cc(CCCCC)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.527
InChIKey:ZQVZZWXLFZOXKD-UHFFFAOYSA-N
ID: 54015
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c31)CCC2C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -15.376
InChIKey:OJJODOBXPPERGE-UHFFFAOYSA-N
ID: 54016
SMILES:O(c1c(OC)c(C(O)CCCC)cc2c1OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.721
InChIKey:MYLFOKHKSAVNSR-UHFFFAOYSA-N
ID: 54017
SMILES:C(COC(C)=O)(=CCC1CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.414
InChIKey:NASACSBJTPTQPC-UHFFFAOYSA-N
ID: 54018
SMILES:c1(C)c2c(c(=O)cc(CCCCC)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.331
InChIKey:SFGNJYAYMAECEM-UHFFFAOYSA-N
ID: 54019
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCC)cc2O)OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -16.791
InChIKey:HFCULKBJCOYMPC-UHFFFAOYSA-N
ID: 54020
SMILES:C1C(=C)CC2c3c(OC)cc(CCCCC)cc3OC2(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.837
InChIKey:ZHVCJICGHSTKSY-UHFFFAOYSA-N
ID: 54021
SMILES:CC(COC(=O)CCCC)=CCCc1cc2c(c(OC)c1)C(=O)C1C(C(C)(C)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -12.392
InChIKey:FUADEIUKPHXTGT-UHFFFAOYSA-N
ID: 54022
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C1(C)CCCC(C)(C)C1=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.627
CB1 binding score: -16.589
InChIKey:HPBOTXNJPAKDJN-UHFFFAOYSA-N
ID: 54023
SMILES:c1(CCCCCC)cc(O)c2c(c1C=O)OC(C)(C)C1C2C(OC2C(O)C(O)C(O)C(CO)O2)CC(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.645
CB1 binding score: -12.479
InChIKey:ZQXZWSSYNKFWAS-UHFFFAOYSA-N
ID: 54024
SMILES:C12C(C)(C)Oc3c(c(OC(C)=O)cc(CCCCC)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 54025
SMILES:CC1(C)Oc2cc(CCCCC)ccc2C2C3C4(C(=CC(=C(Cl)C(C)(C)O)O4)C(=O)CC13)OC(=O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 529.073
CB1 binding score: Not available
InChIKey:OWJFKVSSFJABSL-UHFFFAOYSA-N
ID: 54026
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.567
InChIKey:URRJUSLCXVXZOX-UHFFFAOYSA-N
ID: 54027
SMILES:c1(O)c2c(cc(CCCCCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.994
InChIKey:RSHHRAXMOZULOO-UHFFFAOYSA-N
ID: 54028
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 54029
SMILES:CC1=CCC(C)(C)C=CCC2(C)Oc3c(c(O)cc(CCCCC)c3)CC2(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.312
InChIKey:RYDDVKVFMNWUFT-UHFFFAOYSA-N
ID: 54030
SMILES:COC(=O)C1C2C(CC1c1c(O)c(OC)ccc1)-c1c(O)cc(CCCCC)cc1OC2(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.709
CB1 binding score: -13.426
InChIKey:DAGNNIHZEMKQLM-UHFFFAOYSA-N
ID: 54031
SMILES:c1(C(CCC(O)C(C)(O)C)C)cc2c(cc1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 390.564
CB1 binding score: -12.428
InChIKey:NXHQHEBCJFPUEV-UHFFFAOYSA-N
ID: 54032
SMILES:O=C(C)Oc1cc(CCCCCCC)c(C2C(C(CCC=C(C)C)C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.696
CB1 binding score: -16.977
InChIKey:QRNFAUYVUTVCFI-UHFFFAOYSA-N
ID: 54033
SMILES:C(=O)(C)OCC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.792
InChIKey:RDKNCFAQSUDPHE-UHFFFAOYSA-N