ID: 83350
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.985
InChIKey:IPEMSUUPJVSHDA-UHFFFAOYSA-N
ID: 83351
SMILES:C1CCC(C(CCC(C)C)=C)(C)Oc2c1c(O)c(C(c1ccc(OC)cc1CCCCC)=O)cc2OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.699
CB1 binding score: -15.929
InChIKey:TVCMBPNQZJVEJM-UHFFFAOYSA-N
ID: 83352
SMILES:C(CC1c2c(O)cc(CCCCC)cc2OC(CCC=C(C)C)(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -17.713
InChIKey:YRKCLJZHWSPBLQ-UHFFFAOYSA-N
ID: 83353
SMILES:Oc1c2c(cc(C(CCC=C(C)C)C)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -18.008
InChIKey:QGVYRLLAVHPHKL-UHFFFAOYSA-N
ID: 83354
SMILES:O=C(CC(C)C)C1=C(O)C(C2C(C(C)=C)CCC(C)=C2)=C(O)C(CC=C(C)C)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.616
InChIKey:GSIGZRDHTNPMRL-UHFFFAOYSA-N
ID: 83355
SMILES:C1(=O)OC2(c3c(cc(CCCCC)cc3O)OC(C)(CCC=C(C)COC(=O)C)CC2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.42
InChIKey:KPBPGHDDMKRGJS-UHFFFAOYSA-N
ID: 83356
SMILES:C(Cc1cc(O)cc(CC)c1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 192.302
CB1 binding score: -18.824
InChIKey:KJZAOPRSRYYJCH-UHFFFAOYSA-N
ID: 83357
SMILES:C1(c2c(O)cc(CCCCC)cc2)OC(=O)C(=C)C1C(C1CC(C)C(=O)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -17.107
InChIKey:RUJYDHZGVGSYTN-UHFFFAOYSA-N
ID: 83358
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.392
InChIKey:RCCCKQKOMSTGQP-UHFFFAOYSA-N
ID: 83359
SMILES:CC1(C)Oc2c(c(O)c(CCC(O)C(O)(C)C)cc2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.929
InChIKey:DIFDYNLNJVASSK-UHFFFAOYSA-N
ID: 83360
SMILES:C(C)(C)(O)C1C(c2c(O)ccc(CCCCC)c2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.061
InChIKey:CGCPTPHNGLDUQG-UHFFFAOYSA-N
ID: 83361
SMILES:C(C)(Oc1cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(O)C2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.672
InChIKey:XLGFIDRJZSPGCD-UHFFFAOYSA-N
ID: 83362
SMILES:C1CC(C)C2C(C)(C1O)CC1=C(CC2)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.861
InChIKey:OBIMBLXEPWWKPG-UHFFFAOYSA-N
ID: 83363
SMILES:C1(CC=C(C)C)C2(C)C(O)C3C1(CO)Oc1c(cc(OC)cc1C)C3C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.622
InChIKey:APRLEULZXRNJIZ-UHFFFAOYSA-N
ID: 83364
SMILES:c1(O)cc2c(cc1)OC(C)(C)C1C2CC(=C)C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.317
CB1 binding score: -14.902
InChIKey:BQBDYKOYTVNMIE-UHFFFAOYSA-N
ID: 83365
SMILES:c1c(CCCC)c(OC)c2c(c1)OC1(C)CCC(C(C)=C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.643
InChIKey:ANLIKFSCVIKOSM-UHFFFAOYSA-N
ID: 83366
SMILES:CC1(C)Oc2c(c(O)c(C=O)c(C)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.835
InChIKey:PMBXVVOCCXZQKB-UHFFFAOYSA-N
ID: 83367
SMILES:CC(=CCC1=C(O)C(C)=C(OC)C(=O)C1=Cc1c(O)c(O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -15.702
InChIKey:NIBDQBVHGRYTNG-UHFFFAOYSA-N
ID: 83368
SMILES:C(CCc1cc2c(c(O)c1C(OC)=O)C1C=C(C)CCC1C(C)(C)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -17.118
InChIKey:MAXKYDWNPVZXOM-UHFFFAOYSA-N
ID: 83369
SMILES:CCCCCc1cc2c(c(O)c1)C1C(O2)C(CCC=C(C)C)(C)C(O)C(OC)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.024
InChIKey:GBGYNKQCHJJBDC-UHFFFAOYSA-N
ID: 83370
SMILES:C1(C(=C)C)CC(C(=C)C)C(c2c(CCCCC)cc(O)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.298
InChIKey:HXXLCFAXPDKSGO-UHFFFAOYSA-N