ID: 90406
SMILES:c12c(c(C(O)=O)c(CCCCC)cc1O)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.438
InChIKey:NNIZJFPSHJKWNM-UHFFFAOYSA-N
ID: 90407
SMILES:OC(CCc1c(O)c2c(CCCCCCC)c3c(cc2cc1O)OC(C)(C)C1C3C=C(C(=O)O)C(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.67
CB1 binding score: -14.416
InChIKey:LKRAHBWVCYTYQO-UHFFFAOYSA-N
ID: 90408
SMILES:C(CCC(=CCCC1(C)Oc2c(cc(OC)cc2C)C=C1)C)(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.151
InChIKey:KPPUWYGOFWEHFK-UHFFFAOYSA-N
ID: 90409
SMILES:Oc1cc2c(c3c1CC1C(C)(O3)OC(C)(C)C=C1)OC(C)(CCC=C(C)C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -13.957
InChIKey:OREDOLLXRHXXHR-UHFFFAOYSA-N
ID: 90410
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.201
InChIKey:WRDOPLLDCBRWNW-UHFFFAOYSA-N
ID: 90411
SMILES:C(C)CCCc1cc(O)cc2c1-c1ccc(OC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.589
InChIKey:IASXFXCRBFZFHR-UHFFFAOYSA-N
ID: 90412
SMILES:O1c2c(c3c(cc(CCCCC)cc3OC)OC2C=O)C2C(CCC2(O)C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.438
InChIKey:HMPKEXMEWMTWHF-UHFFFAOYSA-N
ID: 90413
SMILES:Cc1c(-c2c(C)cc(O)c(C(CCC=C(C)C)C)c2O)c(O)c2c(c1C=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -16.655
InChIKey:TYKYLWDIJGNNMC-UHFFFAOYSA-N
ID: 90414
SMILES:O=C(C12C(C(=O)C3=C1C(O)C(C)CCC3)C(C)(C)Oc1c2c(O)cc(CCCCC)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -16.585
InChIKey:AGGUEGMKDQKMGE-UHFFFAOYSA-N
ID: 90415
SMILES:C(CC=C)Cc1cc(O)c(CC=C(CCC=C(C)C)CO)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.69
InChIKey:NHICDIIOAGAAFO-UHFFFAOYSA-N
ID: 90416
SMILES:C1(C)=CCC2C(C)(C)Oc3c(c(O)cc4c3C(=O)OC4)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.354
CB1 binding score: -15.746
InChIKey:KZIHOAJMXMSZJL-UHFFFAOYSA-N
ID: 90417
SMILES:c1c2c(cc(O)c1)-c1c(O)c(CCCC)ccc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -13.447
InChIKey:QGRZDAQMEGUAJX-UHFFFAOYSA-N
ID: 90418
SMILES:C1(O)C(=C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.769
InChIKey:FVOUHLOOXJHMOK-UHFFFAOYSA-N
ID: 90419
SMILES:CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 90420
SMILES:Oc1cc(C(=O)CC(C)C)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.812
InChIKey:BZRMIGDDIOAKAO-UHFFFAOYSA-N
ID: 90421
SMILES:C(C)CCCCCc1cc2c(c(OC)c1)CC(C(C)(C)O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -15.374
InChIKey:SFBLBTQKXWLHRM-UHFFFAOYSA-N
ID: 90422
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 90423
SMILES:C(C)Cc1cc(O)c2c(c1)OC(C)(CCC1C(C)(O)CCC(Br)C1(C)C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 467.444
CB1 binding score: -15.04
InChIKey:LZQCYWSGXWRYCO-UHFFFAOYSA-N
ID: 90424
SMILES:C(C)CCOC(c1c(O)c2c(cc1OC)OC(C)(C)C1C2CC(C)CC1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.355
InChIKey:RLGRCFWPQYVIGA-UHFFFAOYSA-N
ID: 90425
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 90426
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.841
InChIKey:HMXZYHSYEFISFP-UHFFFAOYSA-N