ID: 102082
SMILES:c1c(OC)c(OC)c(Br)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.283
CB1 binding score: -15.369
InChIKey:PDSLTUSZUGTJSU-UHFFFAOYSA-N
ID: 102083
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.689
InChIKey:RMVOSIOEBZGFOI-UHFFFAOYSA-N
ID: 102084
SMILES:C1(C)(O)CC2c3c(cc(CCC)cc3O1)OC(C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.387
CB1 binding score: -16.015
InChIKey:YCYWRZUWDUMNCT-UHFFFAOYSA-N
ID: 102085
SMILES:O1c2c(C)cc(O)cc2CC(C)=C1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.374
InChIKey:LLGSFBQFLAPTNI-UHFFFAOYSA-N
ID: 102086
SMILES:C(C=C)c1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.935
InChIKey:WCWCWBRCSCFYHI-UHFFFAOYSA-N
ID: 102087
SMILES:c1c(OC)cc(CCN(C)C)cc1C1C(C(C)=C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -15.834
InChIKey:DMVUZXMKECCAJF-UHFFFAOYSA-N
ID: 102088
SMILES:c1(CC(C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.315
InChIKey:WTRKRGRMUBVMKA-UHFFFAOYSA-N
ID: 102089
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 102090
SMILES:O(C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)CCC(=O)OC)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -15.098
InChIKey:FKJKKFVRESKRRF-UHFFFAOYSA-N
ID: 102091
SMILES:CC(O)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 102092
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(COC)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.608
InChIKey:JXPUHPSJALQJKV-UHFFFAOYSA-N
ID: 102093
SMILES:c1(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 102094
SMILES:COc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.187
InChIKey:ZKXZJUZIDUHJLH-UHFFFAOYSA-N
ID: 102095
SMILES:C1(CNCCCO)CC(CO)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 377.525
CB1 binding score: -14.605
InChIKey:WWGNSACPEYZQJT-UHFFFAOYSA-N
ID: 102096
SMILES:Oc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.529
InChIKey:WQXFMLNUWABCFK-UHFFFAOYSA-N
ID: 102097
SMILES:C(C)(C)=CCc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 102098
SMILES:C(C=C(C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 102099
SMILES:C(=O)C1c2c(cc(O)c(OC)c2)-c2c(cc(CCCCC)cc2O)OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.351
InChIKey:FSVJTDJWFKGVTB-UHFFFAOYSA-N
ID: 102100
SMILES:C1C2C(=O)CC3(C(C)(C)Oc4cc(CCCCC)cc(O)c4C32)CC(=O)C1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.273
InChIKey:KIOSFUYLSAYJBF-UHFFFAOYSA-N
ID: 102101
SMILES:CC1(C)OC(OC)C(C(OC)=O)C1(CCC(c1cc(O)cc2c1OC(C)(C)C=C2)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -12.977
InChIKey:QTKQLOJPTCVWOW-UHFFFAOYSA-N
ID: 102102
SMILES:c12cc(CCCCC)ccc1C1=CC(C)(C)OC1(C)CCC=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -13.327
InChIKey:JKAYYTKSINVHCZ-UHFFFAOYSA-N