ID: 110041
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 110042
SMILES:c12c(OC)cc(CCCCC)cc1OC1(C)C(C(C)(C)C(O)C=C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.07
InChIKey:LNDKQABBGPXWBD-UHFFFAOYSA-N
ID: 110043
SMILES:Cc1c(OC2C(O)C(O)C(O)C(CO)O2)c(CC=C(C)C)c(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.534
CB1 binding score: -14.995
InChIKey:QLTOZQNCCQRPQB-UHFFFAOYSA-N
ID: 110044
SMILES:c1(C=CCCO)ccc(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -11.774
InChIKey:BMVCQVMVCUKQRW-UHFFFAOYSA-N
ID: 110045
SMILES:c1(CCCCC=O)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.664
InChIKey:DKFWCBFLJJXXFH-UHFFFAOYSA-N
ID: 110046
SMILES:C(CCCCCCC)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.552
InChIKey:IQQWVNYGBXVDNU-UHFFFAOYSA-N
ID: 110047
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C3C12C(O)C(C)(O)CC3)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -14.365
InChIKey:KRMNEPHOPBFDSO-UHFFFAOYSA-N
ID: 110048
SMILES:c1(CCCCC)c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.51
InChIKey:HVHGQLIPGTXIKX-UHFFFAOYSA-N
ID: 110049
SMILES:C(C=CCC1(O)C(C(C)=C)C(c2c(C(=O)O)cc(CCCCC)cc2O)CC(C)=C1)(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -16.813
InChIKey:MZQSINPFDAMXQL-UHFFFAOYSA-N
ID: 110050
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.355
InChIKey:LZHKTNSFHSFWLP-UHFFFAOYSA-N
ID: 110051
SMILES:CC(C)C(OCC1=CC(c2c(O)cc(CCC)cc2O)C(C(=O)C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -12.429
InChIKey:KVFZGZSSAZDDTJ-UHFFFAOYSA-N
ID: 110052
SMILES:c1c(O)c(C2C(C)=CCCC2C(C)C)c(O)cc1CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.115
InChIKey:KWSCWOBQDMCTGV-UHFFFAOYSA-N
ID: 110053
SMILES:CC12C(C(O)C(C)CC1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.214
InChIKey:QWYYXNXIQNGCOR-UHFFFAOYSA-N
ID: 110054
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 110055
SMILES:C1C(C)C2c3c(c(C(O)=O)c(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.768
InChIKey:ABDCKHBIPJKYHC-UHFFFAOYSA-N
ID: 110056
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.431
InChIKey:MPYZLGRISYKSDV-UHFFFAOYSA-N
ID: 110057
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 110058
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 110059
SMILES:C1C(C)(C)Oc2cc(CCCCC)cc(OC(=O)C)c2C1CCC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.5
InChIKey:UJDINOFQGBEHIN-UHFFFAOYSA-N
ID: 110060
SMILES:O(c1cc(O)cc(CCCCC)c1)CC=C(CCC=C(C)CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.832
InChIKey:BNWJZHOKQJYRLP-UHFFFAOYSA-N
ID: 110061
SMILES:c12cc(O)c(C=O)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.621
InChIKey:ZAHOXGPXIYQXDR-UHFFFAOYSA-N