ID: 46117
SMILES:Oc1c(C(OCCC)=O)c(CCCCC)cc2c1C1C(CCC(COC)=CC1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.605
InChIKey:XNZAQKXGCKFDPS-UHFFFAOYSA-N
ID: 46118
SMILES:O(c1ccc(C)cc1)c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC1(C)C3O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -13.499
InChIKey:YQXHXZCHYAAHPK-UHFFFAOYSA-N
ID: 46119
SMILES:C(CC(CCOc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.092
InChIKey:SWRANIJLLFBBET-UHFFFAOYSA-N
ID: 46120
SMILES:O=C1c2cc(CCCCC)cc(OC)c2C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.479
InChIKey:SNGCTHAEEUDUJI-UHFFFAOYSA-N
ID: 46121
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 46122
SMILES:C1C2C(=C)C(=O)C(C=C(CO)CO)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -15.331
InChIKey:HJBOXTXXQASNGG-UHFFFAOYSA-N
ID: 46123
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(C)cc(OC)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -17.257
InChIKey:CGWIVQHRLPMWEJ-UHFFFAOYSA-N
ID: 46124
SMILES:c1(OC)c(CC=C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.138
InChIKey:RZKFGAMKKHMQBN-UHFFFAOYSA-N
ID: 46125
SMILES:c1(OC)c2c(cc(CCCCC)c1O)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: Not available
InChIKey:YWHLLLFFOBKSAT-UHFFFAOYSA-N
ID: 46126
SMILES:c1(O)cc2c(c(C)c1)C1CC(C)=CC(O)C1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.782
InChIKey:RVAUMTTWMQPRKS-UHFFFAOYSA-N
ID: 46127
SMILES:C(C)(=CCCC1(C)Oc2c(O)cc(CCCCC)cc2C=C1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.633
InChIKey:JYKDJVQHEBZHTR-UHFFFAOYSA-N
ID: 46128
SMILES:c1(OC)c(O)c2c(c(Oc3ccccc3)c1C(CC(C)C)=O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
CB1 binding score: -14.153
InChIKey:IVKNXMKUAWPTFX-UHFFFAOYSA-N
ID: 46129
SMILES:C(CCCc1cc2c(c(O)c1)OC(C)(C)C1(O)CCC(O)(C)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -13.394
InChIKey:IJVJMWYOLHPZCW-UHFFFAOYSA-N
ID: 46130
SMILES:CC(=CCc1c(OC)cc(CCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.187
InChIKey:ZKXZJUZIDUHJLH-UHFFFAOYSA-N
ID: 46131
SMILES:c1(C)c(O)cc2c(c1)OC(C)(C)C1C2C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.099
InChIKey:BPBANTOJUFEDPK-UHFFFAOYSA-N
ID: 46132
SMILES:CC(CO)=CCCC(=CCc1c(O)cc(CCCCC)c(O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 348.483
CB1 binding score: -16.372
InChIKey:UABMFXFGODSREC-UHFFFAOYSA-N
ID: 46133
SMILES:CC1(C)C2(C(C)=CC(=O)C1)Oc1c(c(OC)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.284
InChIKey:XTXOZPVLICCPQN-UHFFFAOYSA-N
ID: 46134
SMILES:C1=C(C)CCC2C1c1c(cc(CCCCC)c(C(=O)O)c1O)OC2(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.577
InChIKey:CRCVVYXKRNFYFQ-UHFFFAOYSA-N
ID: 46135
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 46136
SMILES:CC(=C)C1(C)C(CC2(C)CCCc3c(C)c(Cc4c(O)ccc(O)c4)cc(O)c3O2)=C(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -16.547
InChIKey:QNYWOYDBHHTXOW-UHFFFAOYSA-N
ID: 46137
SMILES:C1CC2C(C)(C)Oc3c(O)c(CCCC)c(O)c(OS(O)(=O)=O)c3C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.547
CB1 binding score: -16.282
InChIKey:IHEFHEOTCXSEEF-UHFFFAOYSA-N