ID: 58045
SMILES:c1(OC)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)(O)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.678
InChIKey:MYOIXXZLRMYUBF-UHFFFAOYSA-N
ID: 58046
SMILES:CC12C(C)=CCC3C1(C(=O)N=C(c1ccccc1)OC3(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 311.381
CB1 binding score: -15.633
InChIKey:UTMNMDWYJGXBAO-UHFFFAOYSA-N
ID: 58047
SMILES:C1(C)(C)C(CCC(=CCc2c(O)cc(CCCCC)cc2O)C)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.786
InChIKey:PWDNUYVJGDCDKW-UHFFFAOYSA-N
ID: 58048
SMILES:O1c2c(cc(CCCCC)cc2O)OC(CCC2=CC(=O)OC2)(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.54
InChIKey:DHLFHKSHQSAENW-UHFFFAOYSA-N
ID: 58049
SMILES:C(CCCCC)c1cc2c(c(O)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.476
InChIKey:PWLDAFQGCRJFGZ-UHFFFAOYSA-N
ID: 58050
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)ccc3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 58051
SMILES:OC(C)OC1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)OC(CO)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.535
CB1 binding score: -15.004
InChIKey:XDOQCLPAFOVCLG-UHFFFAOYSA-N
ID: 58052
SMILES:c1(O)cc2c(cc1)OC(CCC=C(C)C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.792
InChIKey:XMDLGOALFSAYKF-UHFFFAOYSA-N
ID: 58053
SMILES:OC(C)(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.374
InChIKey:QUEVTAZXRXBVPT-UHFFFAOYSA-N
ID: 58054
SMILES:CC(c1cc2c(cc1O)OC1(C)C(C2)C(C)(CCC=C(C)C)CCC1)(C)CCCC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: Not available
InChIKey:QRUCEICMZXVJHJ-UHFFFAOYSA-N
ID: 58055
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C=C(C)CCC3C1(C)CC(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: Not available
InChIKey:KPJSTISEKZKMCA-UHFFFAOYSA-N
ID: 58056
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)C)c(C3C(C(C)C)CCC3(C)C(O)C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -14.187
InChIKey:HKCRFVUPGSKHDB-UHFFFAOYSA-N
ID: 58057
SMILES:C1=C(C)C(=O)CC(C)(C)Oc2cc(CCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -11.544
InChIKey:YKCDGETVTMSYIT-UHFFFAOYSA-N
ID: 58058
SMILES:c12cc(C)c(O)cc1-c1c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.975
InChIKey:DLZIHSROFLFUJK-UHFFFAOYSA-N
ID: 58059
SMILES:O(C)C(C)(c1cc2c(c(O)c1OC)-C1C(C(C)=C)CCC1(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.763
InChIKey:UKZCEEPHXBNDDX-UHFFFAOYSA-N
ID: 58060
SMILES:C1C(C)(O)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.795
InChIKey:JROOGDDXVVHMKF-UHFFFAOYSA-N
ID: 58061
SMILES:c1c(-c2c(O)cc(CCCCC)cc2)cc(O)c2c1OC1(C)CCCC(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -12.225
InChIKey:AXHZWSNBFIFSOQ-UHFFFAOYSA-N
ID: 58062
SMILES:C1(C)C=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.015
InChIKey:NSWRBCVAABMOOT-UHFFFAOYSA-N
ID: 58063
SMILES:CC1=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: 58064
SMILES:C1(CCCC(C)(OC)C)(C)Oc2c(c(O)cc(CCCCC)c2Br)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 427.423
CB1 binding score: -15.431
InChIKey:HOTZATAMPDLHIG-UHFFFAOYSA-N
ID: 58065
SMILES:C1CC(C)=CC(Oc2c(O)c(OC(=O)C)cc(CCCCC)c2)C(C(C)=C)C2C=C(C1)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -13.839
InChIKey:QPQAVPBDNJADDQ-UHFFFAOYSA-N