ID: 5188
SMILES:C12(C(C=C(C)CCC=C(C)C)Oc3c1c(O)cc(CCCCC)c3)OCC(O)C(C(=O)O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -12.869
InChIKey:RILOWFZHRXKTKV-UHFFFAOYSA-N
ID: 5189
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C(O)C(C)(O)C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -15.519
InChIKey:QWKYJAFFTXPDOJ-UHFFFAOYSA-N
ID: 5190
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C1(C)CCC(=O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.771
InChIKey:SBKXNZCRHIGQLP-UHFFFAOYSA-N
ID: 5191
SMILES:C(CCC(=CCc1c2c(c(C(=O)C(CC)C)c(O)c1)OC(C)(C)CC2)C)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.747
InChIKey:QCSPQWTYUNEJLM-UHFFFAOYSA-N
ID: 5192
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 5193
SMILES:C1CC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.534
InChIKey:QYUGZOBWLFFZLA-UHFFFAOYSA-N
ID: 5194
SMILES:c12cc(CCCCC)cc(O)c1OC(CCC=C(CCC=C(C)C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.633
InChIKey:JYKDJVQHEBZHTR-UHFFFAOYSA-N
ID: 5195
SMILES:Oc1c2c(cc(O)c1C(=O)C(C)C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.189
InChIKey:ZYWUQCDKZKKBOG-UHFFFAOYSA-N
ID: 5196
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(O)c(C(=O)C(C)CC)c(O)c32)CC1)C(=O)OCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -15.61
InChIKey:MELLWTLSUXCSEE-UHFFFAOYSA-N
ID: 5197
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.797
InChIKey:KERKCYZDMNZUKU-UHFFFAOYSA-N
ID: 5198
SMILES:C12(O)C(C)CCC3(O)C(C)(C)Oc4cc(CCCCC)cc(O)c4C1C3C(=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.383
InChIKey:RNBKOJLSUZJEFZ-UHFFFAOYSA-N
ID: 5199
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 5200
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCCCCCCCC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 372.593
CB1 binding score: -16.37
InChIKey:HQUSWTLYTXUACH-UHFFFAOYSA-N
ID: 5201
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(O1)C(C)(OC(C=C(CCC=C(CCC=C(C)C)C)C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -13.805
InChIKey:XFNHBJXVZPPHCP-UHFFFAOYSA-N
ID: 5202
SMILES:C1C2(C=C)CC(c3c(O)cc(CCCCC)cc3O)OC2C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -8.727
InChIKey:ZLVZLPDSXGHQPN-UHFFFAOYSA-N
ID: 5203
SMILES:Oc1c2c(cc(C(C)(CCCCCC)C)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -14.978
InChIKey:YDAAEPCQPRFFTF-UHFFFAOYSA-N
ID: 5204
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CN
Pathway: Alkaloids;Terpenoids
Superclass: Tyrosine alkaloids;Meroterpenoids
Class: Cannabinoids;Phenylethylamines
MW: 289.419
CB1 binding score: -18.298
InChIKey:PKJCKZZPAVNOCJ-UHFFFAOYSA-N
ID: 5205
SMILES:C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)OC1(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -13.149
InChIKey:DWXLKOTVMVWEBC-UHFFFAOYSA-N
ID: 5206
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)C=C21)CCc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -16.375
InChIKey:KIFZFFRUVVITDL-UHFFFAOYSA-N
ID: 5207
SMILES:C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 5208
SMILES:C1CC2(C)C3(c4c(cc(CCCCC)cc4O)OC13)CC(C)(CO)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.083
InChIKey:XVLRSZFLNUAIJD-UHFFFAOYSA-N