ID: 120037
SMILES:C(C1(O)C2C=CC3C4C(OC3=O)CC(C)C4C21c1c(O)cc(CCCCC)cc1OC)(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -14.444
InChIKey:IAFJNTJQEOGQAI-UHFFFAOYSA-N
ID: 120038
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 120039
SMILES:CC(OC(=O)c1ccc(O)c(=O)c2c1OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.39
CB1 binding score: -15.319
InChIKey:SAWSANNQFQJRCK-UHFFFAOYSA-N
ID: 120040
SMILES:C1=C(C)C(O)CC2C(C)(C)Oc3c(c(OC)cc(CCc4ccccc4)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -14.288
InChIKey:XAUDSTZQGNVAQY-UHFFFAOYSA-N
ID: 120041
SMILES:C1C(C(C)=C)CC2OC2(C)C2C1(C)C(=O)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.374
InChIKey:IFRHKUCUNPADAQ-UHFFFAOYSA-N
ID: 120042
SMILES:C1(C)(C)CC2=C(O1)c1c(cc(CCC)cc1OC)OC(CCCC)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.769
InChIKey:RWAAKFGEMANFDT-UHFFFAOYSA-N
ID: 120043
SMILES:O1C(CO)C(O)C(O)C(O)C1Oc1c(O)c(C(=O)O)c(CCCCC)cc1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.619
CB1 binding score: -12.613
InChIKey:VVYONNFEVZCDIN-UHFFFAOYSA-N
ID: 120044
SMILES:C1C(C)=CC(c2c(O)cc(C)cc2O)C(C(CCC=C(C)C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.223
InChIKey:OJONPWSJCVBBKK-UHFFFAOYSA-N
ID: 120045
SMILES:c1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.988
InChIKey:FDECQIAQAVZRFF-UHFFFAOYSA-N
ID: 120046
SMILES:C1C2OC(C)(CCC2C(C)C)c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.888
InChIKey:AVVXZARPTQGDGQ-UHFFFAOYSA-N
ID: 120047
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: 120048
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 120049
SMILES:O=c1c2c(c(OC)cc(CCCCC)c1)C(O)C1C(C)(C)OC(C)(C=C1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.82
InChIKey:HZQRDXYXMBYKTG-UHFFFAOYSA-N
ID: 120050
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 120051
SMILES:C1(C)=CC(c2c(O)c(CCCCC)cc(O)c2OC)C(C(CCC=C(C)C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -12.664
InChIKey:MSODZEBUFNAQDG-UHFFFAOYSA-N
ID: 120052
SMILES:OC1=C(CC2(C)C(C)C(O)CCC2C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.202
InChIKey:YBOHKNIZRROVCB-UHFFFAOYSA-N
ID: 120053
SMILES:C12C(C)(C)Oc3ccc(O)c(c3)C3C=C(C)CCC3C(C)(C1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.119
InChIKey:JEMROLIIVUIYNP-UHFFFAOYSA-N
ID: 120054
SMILES:C12C(C(C)C)CCC(C)(Oc3cc(CCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.385
InChIKey:OEDPJGVWHANUAE-UHFFFAOYSA-N
ID: 120055
SMILES:C12CCC(=O)C(C)(C)C1c1cc(O)c(C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -12.395
InChIKey:KXLSLTULMGOQSS-UHFFFAOYSA-N
ID: 120056
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC1=C(O)C2(C)C(CC1=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -16.339
InChIKey:BMSPOGITAIXFOF-UHFFFAOYSA-N
ID: 120057
SMILES:c1(O)c(OC)cc(CC2(CCO)C(=O)C(C)=C(C)C2CCC(C)C)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.798
InChIKey:KFINJSBAIHYPQX-UHFFFAOYSA-N