ID: 50548
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)OC)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 50549
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCC)cc2C#N)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 311.469
CB1 binding score: -19.036
InChIKey:WGGJGDUPGIYPDS-UHFFFAOYSA-N
ID: 50550
SMILES:C1CC(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.389
InChIKey:UHEDSPPIFUFKCL-UHFFFAOYSA-N
ID: 50551
SMILES:C1(C)=CCC2C(C)(C13Oc1c(cc(CCCC)c(O)c1O3)C(O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.905
InChIKey:DWSBYDGRFIRMMF-UHFFFAOYSA-N
ID: 50552
SMILES:C(CCCC)c1cc2c(c(OC)c1)C1C(C(C)(O)C(=CC=C(C)C)O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.837
InChIKey:RXSYRAJQTDWAHX-UHFFFAOYSA-N
ID: 50553
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)C2C(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.96
InChIKey:DDIVQORSYYKRDX-UHFFFAOYSA-N
ID: 50554
SMILES:c1(N)c(C(=O)C(C)CC)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -14.086
InChIKey:VKCUSTATPQNESO-UHFFFAOYSA-N
ID: 50555
SMILES:CC1(C)C2CC(C)=CCC2c2ccc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.648
InChIKey:JTZGVGWJYUWCEP-UHFFFAOYSA-N
ID: 50556
SMILES:C1C(O)C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.254
InChIKey:ZODLYENKSUGAIQ-UHFFFAOYSA-N
ID: 50557
SMILES:C=C(OC(C)=O)Cc1cc2c(c(OC)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.796
InChIKey:BBNAKCOPZSLDLP-UHFFFAOYSA-N
ID: 50558
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)cc(O)cc1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.507
InChIKey:SKMFDKZJLGXDOU-UHFFFAOYSA-N
ID: 50559
SMILES:OC(CC=CC(C)(C)O)=C1C2C(=O)OC(C3C(C)(CC1)Oc1cc(CCCCC)cc(O)c13)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -14.607
InChIKey:KIYWNMCBRLHEPD-UHFFFAOYSA-N
ID: 50560
SMILES:C1(C)Cc2cc3c(c(O)c2C(O)=C1C(OC)=O)OC(C)(CCC=C(C)C)C=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -15.821
InChIKey:QGZUZWJOHQGPDN-UHFFFAOYSA-N
ID: 50561
SMILES:O(C)c1c2c(cc(CCCCC)c1)OC(C)(C)C1OC3C(CCC(C)(O3)C)C(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.195
InChIKey:AHLIAMAHPOKSKW-UHFFFAOYSA-N
ID: 50562
SMILES:C12(O)C(CC(C)=CC1)c1c(O)cc(CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.706
InChIKey:WCTMGARKRKTJMV-UHFFFAOYSA-N
ID: 50563
SMILES:c1cc(CCOc2c3c(cc(CCCCC)c2)OC(C)(C)C2C3CC(=C)C=C2)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.605
CB1 binding score: -13.719
InChIKey:WNFVKFYONLCZOQ-UHFFFAOYSA-N
ID: 50564
SMILES:c1c(C(OCC2(c3c(OC(C)=O)cc(CCCCCC)cc3O)C(C)=CCC2C(O)(C)C)=O)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -13.447
InChIKey:MLFXFIQZSYNNTP-UHFFFAOYSA-N
ID: 50565
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -14.618
InChIKey:FKJUGBQMCXTJGX-UHFFFAOYSA-N
ID: 50566
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 50567
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C(C)=C)CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.44
InChIKey:KAGLYHQZYFBTGO-UHFFFAOYSA-N
ID: 50568
SMILES:C(C(C(O)Cc1cc(O)cc(C2C=C(C)CCC2C(=C)C)c1)CCC(CC)C)=CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.696
CB1 binding score: -14.152
InChIKey:SUTPSUWNDJXZPS-UHFFFAOYSA-N