ID: 4012
SMILES:Oc1c(C(=O)C(CC)C)c(O)c(C=O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.19
InChIKey:PCQGORPGJVHXJE-UHFFFAOYSA-N
ID: 4013
SMILES:C1(c2c(CCCCC)cc(O)c(C3C(C(C)=C)CCC(C)=C3)c2O)OC(C)(C)C=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.661
InChIKey:GUEMDWLPHHLKFN-UHFFFAOYSA-N
ID: 4014
SMILES:O(c1ccc(C2C(C(C)=C)C(c3cc(CCC(=O)C)cc4c3OC(C)(C)C(OC(=O)OC)C4)C=C(CO)C2)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.703
CB1 binding score: -8.864
InChIKey:BWRPKRWDKABDSS-UHFFFAOYSA-N
ID: 4015
SMILES:C1C(C(=C)C)C(c2cc(O)cc(CCC=C)c2)C=C(C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -11.949
InChIKey:FOBPYHPCHDMVDB-UHFFFAOYSA-N
ID: 4016
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 4017
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21)C1C(C)(C)C2C(CC)=CC(C)(C)C1(CC=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 586.945
CB1 binding score: -15.908
InChIKey:ZXAJGDNGGHDPOP-UHFFFAOYSA-N
ID: 4018
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 4019
SMILES:CC1=CC(c2ccc(CCC(C)C)cc2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -15.004
InChIKey:APZCRHZCJUBAHD-UHFFFAOYSA-N
ID: 4020
SMILES:C12(CC(C)=O)c3c(cc(CCCCC)cc3O)OC(C)(CC1)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.036
InChIKey:RSROWCYPHHNPAP-UHFFFAOYSA-N
ID: 4021
SMILES:C(CCCCCC)c1cc(O)c2c(c1O)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.281
InChIKey:JSZHKHOWNVMEIL-UHFFFAOYSA-N
ID: 4022
SMILES:C1CC2(C)c3c(c(OC)c(OC)cc3)C=C2C2=C1c1c(cc(OCC=C(C)CCC=C(C)C)cc1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.717
CB1 binding score: -14.96
InChIKey:USJQNCPWUGZWJB-UHFFFAOYSA-N
ID: 4023
SMILES:CC(C)(CC1c2ccc(C)cc2OC1(C)C)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -11.89
InChIKey:YQMPYBNZKUXMFP-UHFFFAOYSA-N
ID: 4024
SMILES:CC1(C)Oc2c(c3c(c(C(CC)C)c2)OC2(C)C4C(OC(=O)C)CC(C)CC4C=C23)C(c2ccccc2)C1C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.743
CB1 binding score: -16.625
InChIKey:MNPVYOFECLFPNE-UHFFFAOYSA-N
ID: 4025
SMILES:O=C(C1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)C2)OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.875
InChIKey:UTSOKQFJHGRVAF-UHFFFAOYSA-N
ID: 4026
SMILES:C1(Cc2c(O)cc(CCCCCO)cc2O)(C)C(C)C(=O)CC2(C)C1CCC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.942
InChIKey:BKPPUDGTSWBIIO-UHFFFAOYSA-N
ID: 4027
SMILES:CC1(C)C2CCC(C)=CC3C1c1c(O)cc(CCCCC)cc1OC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: Not available
InChIKey:JTZQILWPTMXWKX-UHFFFAOYSA-N
ID: 4028
SMILES:CC(CCC)=CCCc1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.534
InChIKey:OXWHSMXACXZKAZ-UHFFFAOYSA-N
ID: 4029
SMILES:c12c(O)c(O)c(CCCCC)cc1OC(C)(C)C1C(C2)c2c(c(O)cc(C)c2O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.509
CB1 binding score: -14.886
InChIKey:NSYVMJVWPYKOIB-UHFFFAOYSA-N
ID: 4030
SMILES:c1(CCCCC)cc2c(cc1O)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.077
InChIKey:NGFPAXCHIPIMOG-UHFFFAOYSA-N
ID: 4031
SMILES:c1(C(O)(CC(CCCCCCCC)O)C)c(O)c2c(c(C=O)c1OC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.692
CB1 binding score: -15.703
InChIKey:ZCVMZVOFIMIOPE-UHFFFAOYSA-N
ID: 4032
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.009
InChIKey:XKWLUCZAWFMDAL-UHFFFAOYSA-N