ID: 47041
SMILES:C(C)CCCCc1cc2c(c(O)c1C(O)=O)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -14.824
InChIKey:YGPDEKNUFDSNFK-UHFFFAOYSA-N
ID: 47042
SMILES:O1c2c(c(O)cc(CCCCCO)c2)C2CC=C(C)C3CCC4(CO)OC(=O)C4C1C32C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -16.084
InChIKey:FKYDGSGPCSZYTD-UHFFFAOYSA-N
ID: 47043
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 47044
SMILES:C(c1cc(CC=C)c(O)c2c1OC1(C)C2C(C)(C)CCC1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.736
InChIKey:ORULTISTKONJQE-UHFFFAOYSA-N
ID: 47045
SMILES:O(c1cc(O)c(C(=O)CC(C)C)c2c1OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.5
InChIKey:UYAWSBIJCKTOLB-UHFFFAOYSA-N
ID: 47046
SMILES:c12c(c(O)c(C(=O)C(C)CC)c(O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.716
InChIKey:IUMSZUVURMSVLI-UHFFFAOYSA-N
ID: 47047
SMILES:C(c1cc2c(cc1OC)-c1c(c(C)cc(O)c1)OC2(C)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.529
InChIKey:OOIFGRYKPZRDFA-UHFFFAOYSA-N
ID: 47048
SMILES:CC1(O)C2CC3c4c(cc(CCCCC)cc4O2)OC(C)(C)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: Not available
InChIKey:ACCDOADCIPPPDJ-UHFFFAOYSA-N
ID: 47049
SMILES:c1(C)c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 274.36
CB1 binding score: -16.063
InChIKey:SSKMRUXWUOPAPY-UHFFFAOYSA-N
ID: 47050
SMILES:C12=C(CC(O)C(C)C1=O)C(C)(C)Oc1c-2c(CCCCC)cc2c1C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.936
InChIKey:MAHIRHBZZKAENV-UHFFFAOYSA-N
ID: 47051
SMILES:COC(C=Cc1c2c(c(OC)cc1O)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.027
InChIKey:NRQBOIHUYLDEHU-UHFFFAOYSA-N
ID: 47052
SMILES:C(C(c1c(=O)cc2c(cc1)C1C=C(C)C(O)CC1C(C)(C)O2)CC=C(C)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.335
InChIKey:YTDBJUYLPDCUIM-UHFFFAOYSA-N
ID: 47053
SMILES:C1C(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 47054
SMILES:C1(CO)(C)CC(C)(C)C2(CC1)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.647
InChIKey:MHXJDQVEWMNOJA-UHFFFAOYSA-N
ID: 47055
SMILES:C1(C)=CCCC2(C)Oc3cc(CCCCC)cc(OC4OC(COC(=O)C)C(O)C4O)c3C(C)(C)C=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.686
CB1 binding score: -11.791
InChIKey:HFKUSHXNJPILED-UHFFFAOYSA-N
ID: 47056
SMILES:CC1(CCC=C(C)C)C=Cc2c(O)c(C(=O)O)cc(CCCCC)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.057
InChIKey:XTECEPJLXBGVGL-UHFFFAOYSA-N
ID: 47057
SMILES:C1(C)(C)C2C(=O)C=C(C)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 47058
SMILES:c1(CCCC(O)(CCC2C(C)=CC(=O)C3C(CCCC(C)C)(C)OC(=O)C23)OC(=O)C)ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -16.812
InChIKey:MLJAGEDESADGSQ-UHFFFAOYSA-N
ID: 47059
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 47060
SMILES:CCCCc1cc(O)c2c(c1)OC1(C)C2C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.502
InChIKey:WXZPITYUGPMZDZ-UHFFFAOYSA-N
ID: 47061
SMILES:OC(CCCC1(C)Oc2cc(C)cc(O)c2CC1C(=C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.09
InChIKey:IQURCOWHKLLYFI-UHFFFAOYSA-N