ID: 113401
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 113402
SMILES:O1c2c(cc(C)c(O)c2)C(c2c(O)cc(OC)c3c2OC(CCC=C(C)C)(C)CC3)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -13.682
InChIKey:ZMYUUKNGMFZCJY-UHFFFAOYSA-N
ID: 113403
SMILES:C1(C)(CCC2(C)Oc3c(c(OC)cc(C(C)C(C)=C)c3)CC2C)C(O)CC(OC(C)=O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -14.246
InChIKey:QVQMDIUSRUVSEE-UHFFFAOYSA-N
ID: 113404
SMILES:C(=C(C)C)CC12C(=O)C(C(c3ccccc3)=C(O)C(CCCCC)=C1O)C(C)CC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -15.248
InChIKey:VVYDUGRUGBOBFA-UHFFFAOYSA-N
ID: 113405
SMILES:c1(CC2C(C(O)CCO)CC(C(C)C)CC=C2C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -13.073
InChIKey:PMFJDMAFUCYGNH-UHFFFAOYSA-N
ID: 113406
SMILES:CC1(C)C2CCC(C)=CC2c2cc(OC(C)=O)cc(C)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.065
InChIKey:ZHHXJSOLWBUJNE-UHFFFAOYSA-N
ID: 113407
SMILES:C(O)(=O)C1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.902
InChIKey:UTHYCBDYOBFBBZ-UHFFFAOYSA-N
ID: 113408
SMILES:C(CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.188
InChIKey:GGHRHCGOMWNLCE-UHFFFAOYSA-N
ID: 113409
SMILES:c12c(OC)c(OC(=O)C)c(CCCCC)cc1OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.214
InChIKey:QUHHCKAKUDDEHH-UHFFFAOYSA-N
ID: 113410
SMILES:O=C1C(C)CC2C(C1)C(C)(C)Oc1c2c(OC)cc(C2CC(=O)C(CCCC(C=O)C)(C)O2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.334
InChIKey:OMSHPTCJCSKSRQ-UHFFFAOYSA-N
ID: 113411
SMILES:C1=C(CC(C=C(C)C)=O)C2C(c3c(O)cc(CCCCC)cc3OC2=O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.809
InChIKey:OGWHAXYCGCUVHW-UHFFFAOYSA-N
ID: 113412
SMILES:N(C(C(CCC1CCC(=C)C(c2cc(O)cc(C)c2)C1=O)C)C)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 383.576
CB1 binding score: -15.116
InChIKey:CXAKXRRMAVFRFU-UHFFFAOYSA-N
ID: 113413
SMILES:CCCCCc1ccc2c(c1)CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -17.303
InChIKey:HIMCXEAFAHUSNM-UHFFFAOYSA-N
ID: 113414
SMILES:C(CCC1(C)C(O)Cc2c(O)cc(CCC)cc2O1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.686
InChIKey:LLPMAUMTANBRBH-UHFFFAOYSA-N
ID: 113415
SMILES:O(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C(=O)O)CC1)C(=O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -14.697
InChIKey:WRFXVVPYHYCBNX-UHFFFAOYSA-N
ID: 113416
SMILES:C(=C(CCC=C(C)C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 113417
SMILES:c1(OC)c(O)c2c3c(c1O)C=CC(C)(C)OC1(C)CCC(C2C1)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.015
InChIKey:SZPBHNQGCIPFGA-UHFFFAOYSA-N
ID: 113418
SMILES:C(C)(=C)C1C(c2c(O)cc(CCC)cc2O)CC(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.77
InChIKey:DSQYLYINNKEKQI-UHFFFAOYSA-N
ID: 113419
SMILES:OCCCc1cc(C(O)=O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.04
InChIKey:JIUORNXZCZAYOO-UHFFFAOYSA-N
ID: 113420
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.573
InChIKey:GWRZPUHAIFHCHL-UHFFFAOYSA-N
ID: 113421
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C(CCC=C(CCC=C(C)C)C)C)CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.723
CB1 binding score: -13.982
InChIKey:VYOVDXBEEQESRX-UHFFFAOYSA-N