ID: 94879
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 94880
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 94881
SMILES:O(C(=O)c1c([N+](=O)O)cccc1)c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.683
CB1 binding score: -14.834
InChIKey:SIBAHDJEHQHUDK-UHFFFAOYSA-O
ID: 94882
SMILES:CC(=C)C12CCC(C)(C1)Oc1c(C(=O)C(C)C)c(O)cc(CCCCC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.502
InChIKey:DHTNCQYYFYOIPK-UHFFFAOYSA-N
ID: 94883
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.844
InChIKey:DHOXLQJAMAKRMH-UHFFFAOYSA-N
ID: 94884
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(CO)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.327
InChIKey:FBGPTEARZNNXAE-UHFFFAOYSA-N
ID: 94885
SMILES:C1CC2(C(C)(O)C)C(C=C1CO)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.457
InChIKey:QAIOXSJPIVRQLE-UHFFFAOYSA-N
ID: 94886
SMILES:C1(C)=CC(c2c(O)c(OC)ccc2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.881
InChIKey:LAVDCCJXHZZRPP-UHFFFAOYSA-N
ID: 94887
SMILES:CC1(C)C2CCC(C)=CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 94888
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 94889
SMILES:O=C(OC(C(=O)OCC(C)C)C1C(CC2c3c(cc(CCCCC)cc3O)OC2(C)C)c2c(O)cc(OC)cc2O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 584.706
CB1 binding score: -13.809
InChIKey:KRVYSWZISVVHND-UHFFFAOYSA-N
ID: 94890
SMILES:c12c(c(C(=O)C(C)C)cc(O)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.608
InChIKey:BCZQWFXBKNENAQ-UHFFFAOYSA-N
ID: 94891
SMILES:O(c1c2c(cc(C(=O)O)c1CCCCC)OC(C)(C)C1CCC(C)=CC21)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -13.73
InChIKey:OGDYJAPCEGSLBK-UHFFFAOYSA-N
ID: 94892
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.9
InChIKey:UWBCYGUAEGZJRC-UHFFFAOYSA-N
ID: 94893
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1)(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 94894
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(CO)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.756
InChIKey:KZSPITWSGNVMLP-UHFFFAOYSA-N
ID: 94895
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94896
SMILES:CCCc1cc(O)c2c(c1)C1C(C(C)(CCC=C(C)C)O)CCC1(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.863
InChIKey:GNJMKPGVCJZDKO-UHFFFAOYSA-N
ID: 94897
SMILES:COc1cc2c(cc1)OC(C)(C)C1CCC(C)=C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.054
InChIKey:RKQAXFIHJDBYSO-UHFFFAOYSA-N
ID: 94898
SMILES:C(=C(C)C)C1(O)c2c(cc(CCCCC)cc2O)OC2(C)CCC(C(C)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.048
InChIKey:UAZCEUFISGQYHA-UHFFFAOYSA-N
ID: 94899
SMILES:C1(C)CCC(C)C(Cc2c(O)c(C)cc(O)c2)(C)OC1C=CC(C)(OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -12.285
InChIKey:ZYQMKYUGRXZCFV-UHFFFAOYSA-N