ID: 40552
SMILES:C(O)C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.324
InChIKey:JIDLUJKOBQIGMW-UHFFFAOYSA-N
ID: 40553
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C1CC=C(C)CC1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.827
InChIKey:AJQHWXARUUUFGD-UHFFFAOYSA-N
ID: 40554
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.404
InChIKey:IBSBWOIOMTZHJY-UHFFFAOYSA-N
ID: 40555
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.836
InChIKey:NEJLDHYBFLFCFA-UHFFFAOYSA-N
ID: 40556
SMILES:c12cc(CCCCC)cc(O)c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 40557
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.009
InChIKey:XKWLUCZAWFMDAL-UHFFFAOYSA-N
ID: 40558
SMILES:C(CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.994
InChIKey:PPBWZNBXOLCSFA-UHFFFAOYSA-N
ID: 40559
SMILES:C12C(C)(Oc3c(c(O)cc(CCCCC)c3)C1C=C(C=CC=C(C)C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -14.852
InChIKey:SSYCLEXPVISALZ-UHFFFAOYSA-N
ID: 40560
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2ccc(O)c1CC=C(CO)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.988
InChIKey:PVMMWSHMJYTEOT-UHFFFAOYSA-N
ID: 40561
SMILES:C(C(c1c(C(=O)O)cc2c(c1O)OC(C)(C)C1CCC(C)=CC12)O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -12.53
InChIKey:TTZZSVZRCJCRBV-UHFFFAOYSA-N
ID: 40562
SMILES:c1c(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 40563
SMILES:CC(=C)C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 40564
SMILES:C1C(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 40565
SMILES:c1(O)c2c(c(C=O)c(O)c1C(C(C)CC)=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.19
InChIKey:PCQGORPGJVHXJE-UHFFFAOYSA-N
ID: 40566
SMILES:C(=C(C)C)CCC(=CCc1c(C(=O)O)c(O)cc(CCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.034
InChIKey:DXZUGRDNMJVORB-UHFFFAOYSA-N
ID: 40567
SMILES:C(C)(C)c1c(OC)c(=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.894
InChIKey:OZSBPARLPWLVMG-UHFFFAOYSA-N
ID: 40568
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 40569
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.502
InChIKey:QQKHMQAUINFKKL-UHFFFAOYSA-N
ID: 40570
SMILES:c1c(O)c(CC(O)C)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.306
InChIKey:QJRQZQBJSJPOFD-UHFFFAOYSA-N
ID: 40571
SMILES:C(C1(O)CCC(C)=CC1c1c(O)cc(CCC)cc1O)(O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: Not available
InChIKey:UMTKKCBMOWFHCN-UHFFFAOYSA-N
ID: 40572
SMILES:c12c(c(O)c(C(O)=O)c(CCCCC)c1)C(=O)CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -16.445
InChIKey:RPQXUUDCZDHXHS-UHFFFAOYSA-N