ID: 57142
SMILES:O1c2c(c(O)cc(CCCCC)c2)C23C(C)(CC(O)C(O)C2O)OC(C)(CC3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -15.244
InChIKey:NPZHAHJGYUIDSR-UHFFFAOYSA-N
ID: 57143
SMILES:C1(C)CC2C(C1=O)c1c(O)cc(CCCCC)cc1OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.748
InChIKey:RFWLMNKCAIXEBR-UHFFFAOYSA-N
ID: 57144
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -18.531
InChIKey:QHXOCZYXQWUAQM-UHFFFAOYSA-N
ID: 57145
SMILES:C1(C)C2=C(CCC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.126
InChIKey:GLSJFNHWXLLBMB-UHFFFAOYSA-N
ID: 57146
SMILES:CC(=CCCC1(C)Oc2c(O)cc(CCCC)cc2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:WNSSGUWRFMVTAI-UHFFFAOYSA-N
ID: 57147
SMILES:C=C(C)C1C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 57148
SMILES:OC(CCC(C)=O)C1(C)Oc2c(C=O)c(C)c(O)cc2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.609
InChIKey:MQIDOTTVFRUTRA-UHFFFAOYSA-N
ID: 57149
SMILES:C12C=C(C)C3CC1C(CO)=c2OC1(O)C(O)C(C)(C)CC1c1c(O)cc(CCCCC)cc1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -13.894
InChIKey:IBQNNHVLQHVLJH-UHFFFAOYSA-N
ID: 57150
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 57151
SMILES:CC1=CC(c2c(O)cc(CCCCCO)cc2O)C2C(C)(O)CCC(C(C)=C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.396
InChIKey:DTRIMPSQEWBKAQ-UHFFFAOYSA-N
ID: 57152
SMILES:CC(C)=CCC1Oc2c(c(O)cc(CCCCC)c2)C2CC(=C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.442
InChIKey:LAIWLZZZEAJKOO-UHFFFAOYSA-N
ID: 57153
SMILES:CN(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.456
CB1 binding score: -15.299
InChIKey:XHCQRTKXWUPRJA-UHFFFAOYSA-N
ID: 57154
SMILES:Cc1c(-c2c(CC=C(C)CCC=C(C)C)c(OC3OC(CO)C(O)C(O)C3O)cc(=O)c3c2OC(C)(C)C2C3C=C(C)CC2)c(O)c2c(c1)OC(C(O)(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 776.964
CB1 binding score: -15.62
InChIKey:OVKYDQFSONNKLR-UHFFFAOYSA-N
ID: 57155
SMILES:C(CCc1cc(O)c(C2C(C(=C)C)CC=C(C)C2)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.622
InChIKey:WCFOSXDMHDXFME-UHFFFAOYSA-N
ID: 57156
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.57
InChIKey:LURPWARMGYBTPS-UHFFFAOYSA-N
ID: 57157
SMILES:C1C(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 57158
SMILES:Oc1c(C(=O)CC)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -12.796
InChIKey:BCWWRFRWGMYKJT-UHFFFAOYSA-N
ID: 57159
SMILES:O=C(c1c(CCCCC)cc2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.626
InChIKey:ZDHBLGNVFSHDIM-UHFFFAOYSA-N
ID: 57160
SMILES:Oc1c(CC=C(C)C)c(O)c(Cl)c(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.811
CB1 binding score: -15.789
InChIKey:XOAWFOUPOBYHGX-UHFFFAOYSA-N
ID: 57161
SMILES:C1(Cl)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.849
CB1 binding score: -15.332
InChIKey:PISCKLYBEUCXEN-UHFFFAOYSA-N
ID: 57162
SMILES:CC12CC(c3c(O)cc(CCCCC)cc3O1)C1=C(C(=O)O)CCC1C(C)CC2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.811
InChIKey:FIDIJRKWFILCJW-UHFFFAOYSA-N