ID: 122242
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 122243
SMILES:C1C(C(C)C)CC2c3c(O)cc(CCCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -13.99
InChIKey:WBQSIPNZOGJSHW-UHFFFAOYSA-N
ID: 122244
SMILES:C(CCC(C)=CCc1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 122245
SMILES:C(=CCCC(C)=CCCC1(C)Oc2c(cc(O)cc2C)C=C1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.123
InChIKey:QQPSGPGXWWMGAT-UHFFFAOYSA-N
ID: 122246
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)CC(CC(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.748
InChIKey:NXJHFINWRXGQKB-UHFFFAOYSA-N
ID: 122247
SMILES:c1c(C=O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -18.377
InChIKey:ZNOPEZKIWKXJAC-UHFFFAOYSA-N
ID: 122248
SMILES:c1(Br)c2c(cc(CCC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.377
CB1 binding score: -15.574
InChIKey:AZRJGYDCTCUQQD-UHFFFAOYSA-N
ID: 122249
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 122250
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 122251
SMILES:C1(=O)CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.39
InChIKey:DUKBJAHPHAIVPG-UHFFFAOYSA-N
ID: 122252
SMILES:CCc1cc(O)cc(CCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 178.275
CB1 binding score: -17.737
InChIKey:YEKMVCBBXIGWET-UHFFFAOYSA-N
ID: 122253
SMILES:O(c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.286
InChIKey:VBGLQLUQKZRKHZ-UHFFFAOYSA-N
ID: 122254
SMILES:CC12Oc3c(cc(C)c(CCCCC)c3)C1C=C(C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -15.294
InChIKey:JJTMFBXNVIONFJ-UHFFFAOYSA-N
ID: 122255
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 122256
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -18.334
InChIKey:XBCSXUYXVCTQRG-UHFFFAOYSA-N
ID: 122257
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(O)c(OC)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.091
InChIKey:LEOGMTYTYSRFAF-UHFFFAOYSA-N
ID: 122258
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.009
InChIKey:AHNDOCSOZYPQHA-UHFFFAOYSA-N
ID: 122259
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)ccc(OC2OC2CCCCCCCCCCCCC)c1[N+](=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.727
CB1 binding score: -14.167
InChIKey:ZEZKIVNWAKJRTI-UHFFFAOYSA-O
ID: 122260
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.427
InChIKey:UTXVBEHMQGNODO-UHFFFAOYSA-N
ID: 122261
SMILES:c1(CC2CC(C)CCC2C(C)O)c(O)cc(CCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -15.436
InChIKey:VTVYSELAQIEHMX-UHFFFAOYSA-N
ID: 122262
SMILES:C1(C)=C(O)C(CC(=CCc2c(O)c(C)cc(O)c2)C)OC12CC(C(C)C)C(C(=O)OC)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: Not available
InChIKey:HHGJTRGTZCQTDX-UHFFFAOYSA-N