ID: 35449
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.718
InChIKey:BEMDFPISFCAMPJ-UHFFFAOYSA-N
ID: 35450
SMILES:c1c(CCCCC)cc2c(c1O)CC1C(C)(C)C(=O)OC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.893
InChIKey:VWYXUHFODRWSOB-UHFFFAOYSA-N
ID: 35451
SMILES:N(C(C=C1C2C(C)(CCC1C)Cc1c(cc(CCCCC)cc1O)O2)=O)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 413.602
CB1 binding score: -14.934
InChIKey:OHQZLJCAGWNEER-UHFFFAOYSA-N
ID: 35452
SMILES:c1(CC(C)C(OC(=O)C)C)c(O)c(CC=C(C)CC=CC(C)=C)c(O)c2c1C1(C)CCC(C)=C(C)C1=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.738
CB1 binding score: -12.276
InChIKey:UGEZIUQIBODDIE-UHFFFAOYSA-N
ID: 35453
SMILES:C(CCc1cc(O)c(C2C(O)C(O)CC(CO)O2)c(O)c1)CC(CCC=C(C)C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.561
CB1 binding score: -17.163
InChIKey:DWYATDLYTLBVRO-UHFFFAOYSA-N
ID: 35454
SMILES:CCC=Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)nc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.414
CB1 binding score: -12.563
InChIKey:DZBFBRMEDUJLIT-UHFFFAOYSA-N
ID: 35455
SMILES:c1(C=O)cc(CCCCC)cc2c1OC1(C)CC2C(C(O)(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.206
InChIKey:MNFQZBZHDAQFPE-UHFFFAOYSA-N
ID: 35456
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.374
InChIKey:GIXGVVPJMNOWPU-UHFFFAOYSA-N
ID: 35457
SMILES:C(O)(C1OC(c2c(O)cc(C(C)(C)CCCCCC)cc2)CC(C)CC1)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.608
CB1 binding score: -10.612
InChIKey:GNORUUONKCIRQI-UHFFFAOYSA-N
ID: 35458
SMILES:C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)C(C)(O)C1C2CC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.76
InChIKey:PTBTVUQLELXIRL-UHFFFAOYSA-N
ID: 35459
SMILES:O=c1c(O)cc2c(cc1C(O)(C)C)OC(c1c(O)cc(CCCCC)cc1O)C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: Not available
InChIKey:FTVWLSLIFPLQMD-UHFFFAOYSA-N
ID: 35460
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(C)(CCC=C(C)C)C(CC=O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -14.612
InChIKey:GEZCUAZFXKVVDO-UHFFFAOYSA-N
ID: 35461
SMILES:c1(OC(=O)C(C)CC)c(C(OC(C)=O)C(CC)C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -14.69
InChIKey:CXDVPLZFIOCDEG-UHFFFAOYSA-N
ID: 35462
SMILES:CC(=O)Oc1c(C)cc(Oc2cc(CCCCCC)cc(O)c2CC=C(C)CCC=C(C)C)c(C(C)(C=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.791
CB1 binding score: -6.565
InChIKey:JSEDGLSCCLSQNB-UHFFFAOYSA-N
ID: 35463
SMILES:O1c2cc(CCCCC)cc(O)c2C2C13C(C(C)=CC2C=C(C)C)CCC3(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.058
InChIKey:RUYUUVOEFFOYIE-UHFFFAOYSA-N
ID: 35464
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C2C3C1(C)CCC3C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.502
InChIKey:GQFZRGZEJINGGF-UHFFFAOYSA-N
ID: 35465
SMILES:C1=C(OC)C(=O)c2c3c(cc(O)c2)OC(C)(C)C(C1C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -13.84
InChIKey:VKTQPDSNPMGAOO-UHFFFAOYSA-N
ID: 35466
SMILES:C1(CCC2C(C)(C)O2)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.88
InChIKey:YOKGZPDJGXKSEW-UHFFFAOYSA-N
ID: 35467
SMILES:C1(O)C=C(C)C2C1c1c(cc(CCCCC)cc1O)OC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -12.55
InChIKey:ULRLYNXBIUIAHX-UHFFFAOYSA-N
ID: 35468
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1C(C)(CCC=C(C)C)C1(C(C)(C)C(=O)C(C)=C1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -14.463
InChIKey:UCZKOZBNNLACSV-UHFFFAOYSA-N
ID: 35469
SMILES:CC(CC(=O)c1c(O)c2c(cc1O)OC(C)(C)C1CC=C(C)CCC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.023
InChIKey:RFCIJJTXOAFBAE-UHFFFAOYSA-N