ID: 104434
SMILES:C1C(C)(O)C2Oc3cc(CCCCC)cc(O)c3C2C2C1OC(=O)C2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -13.52
InChIKey:HZZQWVYVUOAMKY-UHFFFAOYSA-N
ID: 104435
SMILES:C12CC(=C(C(O)CC=C(C)C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.89
InChIKey:FBVJJMQVVGHIMW-UHFFFAOYSA-N
ID: 104436
SMILES:C1(=O)C=CC(CCC2(C)C=Cc3c(O)cc(C)cc3O2)(C)C(CCCO)C1=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.566
InChIKey:VNBYPPVYMRPCBW-UHFFFAOYSA-N
ID: 104437
SMILES:CC1(C)Oc2cc(C(O)=O)cc(CCCCC[N+](C)(C)C)c2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.48
CB1 binding score: -17.14
InChIKey:SHXMQEWAXJAOLZ-UHFFFAOYSA-O
ID: 104438
SMILES:C12=CC3C(C)=CCC3(OC)OC1=C(CC(C)(O)C)C(=O)C2CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13.821
InChIKey:RRTXOPCSNZNQTN-UHFFFAOYSA-N
ID: 104439
SMILES:C12c3ccc(O)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 104440
SMILES:C12(C)Oc3c(c(OC)c4c(c3O)cc(CCCCC)cc4O)C1C=CCC2C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -18.334
InChIKey:DRVYZOOMSXYIAJ-UHFFFAOYSA-N
ID: 104441
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(CCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 104442
SMILES:c1c(O)cc2c(c1)C(C)(C)Oc1c-2cc(CCCCC)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -13.095
InChIKey:ABCJVMULXRINJB-UHFFFAOYSA-N
ID: 104443
SMILES:Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 104444
SMILES:C(C1(O)Cc2c(c(O)ccc2O)CC1(CCC(=CCC1C(C)(C)O1)C)C)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.071
InChIKey:KMEXKBBNPXMWFJ-UHFFFAOYSA-N
ID: 104445
SMILES:O1c2cc(CCCCC)cc(OC)c2C2C(CCC(CO)=C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.153
InChIKey:FHFWMWLGGRCLAF-UHFFFAOYSA-N
ID: 104446
SMILES:COc1cc(CCCC)cc2c1C1C(C(C)(C)O2)C(=O)C(OC(=O)Cc2ccccc2)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -16.126
InChIKey:ZXMADHIRYUKQAY-UHFFFAOYSA-N
ID: 104447
SMILES:C(CCc1cc2c(c(O)c1)C1=C(CCC(C)(O)C1)C(C)(C)O2)C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.376
InChIKey:MBCKDVVTZUKRQA-UHFFFAOYSA-N
ID: 104448
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 104449
SMILES:C1(C(CC)C)c2c(cc(O)cc2C)OC(C)(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: Not available
InChIKey:AUAUCMCRIIFGNV-UHFFFAOYSA-N
ID: 104450
SMILES:Oc1c(-c2cc(O)ccc2O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -15.929
InChIKey:ATFOCNKOTRNSGN-UHFFFAOYSA-N
ID: 104451
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 104452
SMILES:CC1(C)Oc2c(c(O)cc(CCC(CC)C)c2C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 276.42
CB1 binding score: -13.101
InChIKey:WBAPFCDQELYHIU-UHFFFAOYSA-N
ID: 104453
SMILES:C1(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 104454
SMILES:c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N