ID: 72430
SMILES:O=C1C(O)CC2(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -15.655
InChIKey:ISDYYYVGQHVWML-UHFFFAOYSA-N
ID: 72431
SMILES:C1(C)(C)Oc2cc(O)c(C(C(CC)C)=O)c(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.563
InChIKey:KFHWFLUEGBMEIL-UHFFFAOYSA-N
ID: 72432
SMILES:CC1=CCCC2(C)C(OCCC(CC)C)Oc3c(c(O)cc(C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.06
InChIKey:PWQFNZXKHNOACN-UHFFFAOYSA-N
ID: 72433
SMILES:c1(C(=NC)O)cc(CCCCCC)cc2c1C1CC(CCC1(O)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.564
CB1 binding score: -15.116
InChIKey:BQSZZACJSRMBBT-UHFFFAOYSA-N
ID: 72434
SMILES:C(C1C2c3c(c(CCCCC)cc(O)c3)OC(C)(C)C2CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.945
InChIKey:KKNZKWMGTCOZAP-UHFFFAOYSA-N
ID: 72435
SMILES:c1(CCCCC)cc(O)c(C2CC3C(CCC3C)C(C)(C)C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -17.146
InChIKey:PLEOQDDCFJRNED-UHFFFAOYSA-N
ID: 72436
SMILES:c1(C=CCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.881
InChIKey:JDHGICMWRLFPTC-UHFFFAOYSA-N
ID: 72437
SMILES:C(CCCCC)c1cc2c(c(O)c1)C1C(C)(C)C1CC=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.622
InChIKey:YWUGUVBFUQCSCH-UHFFFAOYSA-N
ID: 72438
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 72439
SMILES:C(CCCCC)Cc1cc2c(c(O)c1)C1C(CCC(=C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.146
InChIKey:YRNKPZRQMXAMSM-UHFFFAOYSA-N
ID: 72440
SMILES:c1(O)cc(CCCCC)c(C#Cc2cc(C(O)=O)c(O)c(CC=C(C)CCC=C(C)C)c2O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.613
CB1 binding score: -16.034
InChIKey:OJQMXBRLNWVABO-UHFFFAOYSA-N
ID: 72441
SMILES:C1Cc2c(cc(OC(CCC)=O)cc2C)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -12.938
InChIKey:JIEHEVQXKBDSIV-UHFFFAOYSA-N
ID: 72442
SMILES:O(C)c1cc(CCCCC)cc2c1-c1c(O)c(OC)cc(CCCCC)c1OC2(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -15.442
InChIKey:FPRGHQGVKSHFLJ-UHFFFAOYSA-N
ID: 72443
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)cccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.03
InChIKey:FXCDESBUPRREJQ-UHFFFAOYSA-N
ID: 72444
SMILES:COc1c2c(c(C)c(C(C(=C)C)C(C)CC)c1)OC(C)(C)C1(O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -13.97
InChIKey:WZTTZHKMALKYAF-UHFFFAOYSA-N
ID: 72445
SMILES:C12c3c(cc(CCCCC)cc3O)OC3(C)CC(C1(C)O2)C(O)CC3=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.169
InChIKey:OZGSUYMHFLFXJE-UHFFFAOYSA-N
ID: 72446
SMILES:C(CC)CCCc1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.509
InChIKey:COTRHXCUQMVHOA-UHFFFAOYSA-N
ID: 72447
SMILES:C1C(=C)CCC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.726
InChIKey:ZQTJRURUPJMDQO-UHFFFAOYSA-N
ID: 72448
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 72449
SMILES:c1(O)c(Cc2c(O)cc(CCCCC)cc2-c2c(O)cc(CCCCC)cc2O)cc(O)c2c1C(=O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.676
CB1 binding score: -15.024
InChIKey:FSUSLFWCBHPALK-UHFFFAOYSA-N
ID: 72450
SMILES:C1(C(=O)C(C)CC)CC(C)=CC2c3c(C)cc(O)c(c3O)CC(=C1C)Cc1c(CCC)cccc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -10.028
InChIKey:XQDFFVZDBWWEHG-UHFFFAOYSA-N