ID: 85450
SMILES:C(Cc1c(CCCCC)cc(O)cc1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 85451
SMILES:CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.374
InChIKey:FYEVCSFOWVVFOK-UHFFFAOYSA-N
ID: 85452
SMILES:C1(CC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -12.184
InChIKey:PJDHRQNLLYFBTP-UHFFFAOYSA-N
ID: 85453
SMILES:c1(CCCCC)c(O)cc(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.968
InChIKey:RNKSQHRRYNTMIO-UHFFFAOYSA-N
ID: 85454
SMILES:C(c1cc(O)cc2c1C(=O)OC(C1C(C)(C)Oc3c(C)c(O)c(C(C(CC)C)=O)c(O)c31)C2)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.6
CB1 binding score: -13.299
InChIKey:VPSMTTFCGMUMGY-UHFFFAOYSA-N
ID: 85455
SMILES:C1=CC(C)CC2c3c(OC)cc(CCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.609
InChIKey:TVEDEFJDRULUCU-UHFFFAOYSA-N
ID: 85456
SMILES:C(O)C1Oc2c(c(COC(=O)CCCCC)c(CC=C(C)CCC=C(C)C)c(O)c2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.605
InChIKey:XZCXOLWXFSBTCM-UHFFFAOYSA-N
ID: 85457
SMILES:C1(C)(C)Oc2c(c(O)c(O)cc2CC)C2C(C)(CCC1)CC(=O)C(C(C)C)CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.623
InChIKey:WMRKTJRKWXZQCY-UHFFFAOYSA-N
ID: 85458
SMILES:C1C(C)=CCC2C(C)(C)Oc3ccc(O)cc3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 85459
SMILES:CC(=C)C1C2(C=C(C)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.372
InChIKey:QHDYNMBBDRZDIN-UHFFFAOYSA-N
ID: 85460
SMILES:CC1=C2C(c3c(O)c(C(O)=O)c(CCCCCO)cc3OC2(C)C)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.372
InChIKey:UKNXMCHGRXMBQL-UHFFFAOYSA-N
ID: 85461
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(=O)C(C)(CC2C(=O)O)C2=CC(=C(C)C)C(=O)CC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: Not available
InChIKey:OLUHHTDWGGDWGV-UHFFFAOYSA-N
ID: 85462
SMILES:C(=CCCC(C)=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 85463
SMILES:Oc1c(CC=C(C)C)c(O)c(C(=O)CCc2ccccc2)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Chalcones
MW: 460.614
CB1 binding score: -16.4
InChIKey:LENLISOMZSSGQZ-UHFFFAOYSA-N
ID: 85464
SMILES:C(CC)(CCc1c(O)c(C(=O)OC)c(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.374
InChIKey:DPZRTAWOXVBECK-UHFFFAOYSA-N
ID: 85465
SMILES:CC(=CC1Oc2c(cc(OC)cc2CCCCC)CC1(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.034
InChIKey:BVIHOIMGMZSGLU-UHFFFAOYSA-N
ID: 85466
SMILES:C(Cc1c(O)cc(CCCCC)c(O)c1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.433
InChIKey:PQJHNORQVFURSH-UHFFFAOYSA-N
ID: 85467
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(CO)C)C(C)(O2)C(CC=C(C)C)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.633
InChIKey:FMDKDLHCTOJIHT-UHFFFAOYSA-N
ID: 85468
SMILES:C1CC2C(C)(C)Oc3c(c(O)c(C=O)c(CCCCC)c3O)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.271
InChIKey:MIEUXQWDDFFPDJ-UHFFFAOYSA-N
ID: 85469
SMILES:C1=C2c3c(cc(CCCCC)cc3O)OCC2(C)C(O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.537
InChIKey:YSZSFQWSEXKOGG-UHFFFAOYSA-N
ID: 85470
SMILES:Cc1ccc2c(c1)-c1c(O)cc(CCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N