ID: 83875
SMILES:CC(OCC1=CC(c2c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c2)OC2(C)C3CCC(O)(C)C(=O)CC31C2=O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 620.827
CB1 binding score: -16.417
InChIKey:NLBXTVMQXVQENX-UHFFFAOYSA-N
ID: 83876
SMILES:C(CC=C(C)C)C(C)C1CCC2(C)C(O2)C1C(c1c(O)cc(CCCCCO)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.779
InChIKey:YADROBCUISROMJ-UHFFFAOYSA-N
ID: 83877
SMILES:C1(C)(C)Oc2c(c(O)c(CCCCC)cc2O)C2C(=C)CCC3(O)C=CC4C(C=CC(=O)OC4=C3CO)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.638
CB1 binding score: -15.186
InChIKey:VCHIRKDVDWZHQL-UHFFFAOYSA-N
ID: 83878
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 83879
SMILES:C1(C)=CCCC(C)=CCCC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.823
InChIKey:JYOGCCGWOGOBNN-UHFFFAOYSA-N
ID: 83880
SMILES:c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CC=C(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 83881
SMILES:C(=C(C)C)CCC1(C)C=Cc2c(O)c(C(=O)O)c(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 83882
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2ccc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 83883
SMILES:C123C(C(=C)C)CC(O)C1(C)Oc1c(c(O)cc(C)c1)C2OC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.109
InChIKey:SPYGTPFAOSQRMN-UHFFFAOYSA-N
ID: 83884
SMILES:CC(C)CC(CC(C)=CCc1c(O)c2c(c(C(C(C)C)=O)c1O)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.661
CB1 binding score: -13.821
InChIKey:WIUHNLGVSHSJHG-UHFFFAOYSA-N
ID: 83885
SMILES:C1=C2C(=O)C(C(=O)C)=C(OC(=O)C)C2(Cc2c(OC)cc(CCCCC)cc2)OC2(C)C1CC(C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -15.871
InChIKey:VUGVWTQTLYAWGP-UHFFFAOYSA-N
ID: 83886
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 83887
SMILES:COC(C1=CC2C34c5c(cc(CCCCC)cc5OC3(C)CCC2C(C)(C)C1)O4)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -17.298
InChIKey:GAVXQNXZNTUNRM-UHFFFAOYSA-N
ID: 83888
SMILES:C1C2(C)Oc3c(c(CCCCC)cc(O)c3)C3C(C(C)C)CCC(C)C32CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.335
InChIKey:RFHOOBMWIYFYMU-UHFFFAOYSA-N
ID: 83889
SMILES:C1C(C)=CCC2(Oc3c(CCCC)c(O)c(O)cc32)C2CC(C(C)=C)CCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.717
InChIKey:VBWHMFHUHILNSK-UHFFFAOYSA-N
ID: 83890
SMILES:C(C)(C)=CCCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 83891
SMILES:CC(C1CC2C(C)(Oc3cc(OC)cc(CC(O)CCC)c32)CC1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -12.23
InChIKey:ODFPWEDSMYHSLT-UHFFFAOYSA-N
ID: 83892
SMILES:C12C(C)(C=CC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C13)CCCC2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -14.454
InChIKey:WQDSCLNKXXUJPH-UHFFFAOYSA-N
ID: 83893
SMILES:C(O)C1=CC2C(C(O)CC1C)C(C)(C)Oc1c2c(O)cc(CCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.85
InChIKey:OWCIVOSWYLCJQL-UHFFFAOYSA-N
ID: 83894
SMILES:C12C(C)(C)Oc3c(c(OC)cc(C(C)C(OC(C(C)=CC)=O)C(C)=C)c3)C1CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -12.246
InChIKey:XNSGNZYIWIGZKU-UHFFFAOYSA-N
ID: 83895
SMILES:c1(OC)c(O)c2c3c(c1)C(C)(C)OC(c1c(O)cc(C)cc1)=CC2(C)CC=CC(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -16.358
InChIKey:SUHQIXCOSSXMJB-UHFFFAOYSA-N