ID: 80557
SMILES:Oc1cc(O)c2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -17.407
InChIKey:MEBXQXVNQKNBGL-UHFFFAOYSA-N
ID: 80558
SMILES:O(C)c1c(CC=C(C)C)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.692
InChIKey:NQHDVEAJKKSBCC-UHFFFAOYSA-N
ID: 80559
SMILES:Oc1c(C(=O)CCCCCCCCCCCC)cc(O)c2c1OC(C)(C)C1CCC(COC(=O)C)=CC1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.702
CB1 binding score: -15.813
InChIKey:OUMRGYZPJSGICA-UHFFFAOYSA-N
ID: 80560
SMILES:CC(CCC(=O)OC)(c1cc(O)c2c(c1CC(C)C)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.027
InChIKey:BADHRYYKPWMMFI-UHFFFAOYSA-N
ID: 80561
SMILES:CC1(C)C(C)(c2c(OC)cc(CCCCC)cc2O)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -16.678
InChIKey:KYEVRXOXZARKBY-UHFFFAOYSA-N
ID: 80562
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC1(C1O2)C(=O)C=C(COC)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -15.509
InChIKey:JUTYWSOOHNGIGI-UHFFFAOYSA-N
ID: 80563
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 80564
SMILES:C(CC)CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.929
InChIKey:IGPRWGKYFAXUSU-UHFFFAOYSA-N
ID: 80565
SMILES:CCCCc1cc(OC)c2c(c1)OC(C)(C)C1C(=O)CC(C(=O)O)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.929
InChIKey:RPBJQJTZRAPCIS-UHFFFAOYSA-N
ID: 80566
SMILES:CC(OC1C2C(CC1(C(C)=C)O)c1c(O)cc(CCC)cc1O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.562
InChIKey:NLZRCKMJSJPDHT-UHFFFAOYSA-N
ID: 80567
SMILES:C12C(=O)c3c(O)cc(CCCC)cc3OC(C)(CCC3C(C)(C)O3)C1C(C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.389
InChIKey:WPXYFAULUGMHQM-UHFFFAOYSA-N
ID: 80568
SMILES:C(Cc1c(CC=C(C)C)c2c(c(C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1)CC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -11.849
InChIKey:HGRZRGFWZAEDPJ-UHFFFAOYSA-N
ID: 80569
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 80570
SMILES:Oc1cc(CCCC)cc2c1C1C(C(O)(C)C)CC=C(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.584
InChIKey:ZJRGWUFDRWZHCF-UHFFFAOYSA-N
ID: 80571
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 80572
SMILES:C(C)CCc1cc2c(c(O)c1)C1C(C(=C)C)C(C=C1C)OC2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -16.015
InChIKey:IMENPFCNBWAPQP-UHFFFAOYSA-N
ID: 80573
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.264
InChIKey:HZRZOWVUCBCVBJ-UHFFFAOYSA-N
ID: 80574
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 80575
SMILES:c1(C(C)=O)cc(O)c(C2CC(=CC=CC(C)CCC=C(C)C)COC2=O)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -16.019
InChIKey:BYLHPRCWKFIPQE-UHFFFAOYSA-N
ID: 80576
SMILES:O=C1C(C)(c2cc(O)cc(CCCCC)c2)CCC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.348
InChIKey:YIEWHQXUQOARRW-UHFFFAOYSA-N
ID: 80577
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC3C(C)(CCC=C(C)C)OC13)CCC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.158
InChIKey:NXJLHDOAUZTQIO-UHFFFAOYSA-N