ID: 101095
SMILES:CC(C)C(=O)c1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -18.541
InChIKey:RAVMCGKAKWKRLF-UHFFFAOYSA-N
ID: 101096
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 101097
SMILES:BrC1CC(C)=CC(c2c(O)cccc2)(CC=C(C)C)C(=O)C1(C1=C(C(C)C)C2C(C1)OC(CCC)=C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 567.608
CB1 binding score: -14.826
InChIKey:OLAJZSCLZHCDKZ-UHFFFAOYSA-N
ID: 101098
SMILES:C(C)(CO)OC(C1(C)CC(C)(C)C1COC(=O)C1=CCCC2(C)Oc3c(c(O)cc(CCCCC)c3)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.713
CB1 binding score: -13.713
InChIKey:JJUHGDWUQLYOCB-UHFFFAOYSA-N
ID: 101099
SMILES:C1(CCC=C(C)C)(C)Oc2cc(C(=O)O)cc(CCCCC)c2C1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.296
InChIKey:TUDMUCQRPXGBQJ-UHFFFAOYSA-N
ID: 101100
SMILES:C1(C)C2(C)Oc3c(c(O)cc(C)c3)C2CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.929
InChIKey:BELNZWORWGHAMI-UHFFFAOYSA-N
ID: 101101
SMILES:c1(C(=O)O)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.67
InChIKey:IWPPHCXQGFDSAU-UHFFFAOYSA-N
ID: 101102
SMILES:C(CCCCCCCc1c(O)cc2c(c1)OC(C)(C)C1C2C(O)C(CO)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.705
InChIKey:GRRAYEBGSZRSHG-UHFFFAOYSA-N
ID: 101103
SMILES:O=C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 101104
SMILES:Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 101105
SMILES:C12(C(CO)=O)Oc3cc(CCCCC)cc(O)c3C1CC1(O)CC(C(=C)C)CCC1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -15.773
InChIKey:BGOPRPHFKWCIPM-UHFFFAOYSA-N
ID: 101106
SMILES:CC=CC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -14.438
InChIKey:PAGSZSZJXSSGTE-UHFFFAOYSA-N
ID: 101107
SMILES:Oc1c(C)cc(OC)c(OC)c1C1C(C(=C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.08
InChIKey:XMXJHVQETSCUFD-UHFFFAOYSA-N
ID: 101108
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C(C(C)CCCCCC)C)c3)C(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.924
InChIKey:KKKNXMINRUNTQW-UHFFFAOYSA-N
ID: 101109
SMILES:C1(C)=CC(c2ccc(C)cc2O)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 101110
SMILES:C1CC(C)=CC(c2c(O)cc(CC)cc2O)C1C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.015
InChIKey:BOURYZXNEMJVBJ-UHFFFAOYSA-N
ID: 101111
SMILES:c1(CCCCC)cc2c(c(OC(C)=O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 101112
SMILES:C=C(C1C(c2c(O)cc(CCC)cc2O)CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 101113
SMILES:c1c(O)cc(CCCCC)cc1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.107
InChIKey:AKCTZOKCVCWTGX-UHFFFAOYSA-N
ID: 101114
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.563
InChIKey:CODIXLGYYWMJFS-UHFFFAOYSA-N
ID: 101115
SMILES:C12CC(=C)CCC1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.978
InChIKey:KBHYWFRGGLCWNO-UHFFFAOYSA-N