ID: 65899
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 65900
SMILES:c1(O)c(CC=C(C)C)cc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 65901
SMILES:C(CCC)Cc1cc2c(c(O)c1C=O)OC13C(C(C)(C)O2)CC2C(C)(CCC=C2C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -17.341
InChIKey:SVKJMKDIBPBWFU-UHFFFAOYSA-N
ID: 65902
SMILES:O1C(C)(C)C2C1c1ccc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -13.166
InChIKey:PHDQGGDIZRZZDX-UHFFFAOYSA-N
ID: 65903
SMILES:C1C(C2Oc3c(c4c(cc(CCCCC)cc4O)OC2(C)C)C(O)C=C(CO)C3)=CCC2C(=C)CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.737
CB1 binding score: -15.125
InChIKey:PONQYQHITCBOIJ-UHFFFAOYSA-N
ID: 65904
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 65905
SMILES:O(C(=O)C)CC1=CC2C(CC1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.577
InChIKey:AHQPABPKXKUGCW-UHFFFAOYSA-N
ID: 65906
SMILES:C1C(Br)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.262
CB1 binding score: -18.565
InChIKey:QNWMKTBWRYYNDW-UHFFFAOYSA-N
ID: 65907
SMILES:C1CC2(C(C)C)Oc3c(c(O)cc(CCCC)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -16.33
InChIKey:UFENAWSEFKNWPX-UHFFFAOYSA-N
ID: 65908
SMILES:O=C(O)c1c2c(c(O)c(CC=C(C)C)c1O)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -11.731
InChIKey:WCWQPWNZIKXAFO-UHFFFAOYSA-N
ID: 65909
SMILES:C1C(CO)=CC2Cc3c(cc(CCCCC)cc3O)OC2(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.945
InChIKey:AXRQCTNDEAFYAG-UHFFFAOYSA-N
ID: 65910
SMILES:c12c(O)cc(CCCCC)cc1OC(C)C1C2C(C(C)C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.291
InChIKey:HSSCTRNKESEOLZ-UHFFFAOYSA-N
ID: 65911
SMILES:C1=Cc2c(c3c(cc2C)OC(C)(C)C(OC(C(CC)(C)SC)=O)C3)OC1(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.691
CB1 binding score: -16.371
InChIKey:DUEZVFQVLQCHSC-UHFFFAOYSA-N
ID: 65912
SMILES:C(=C(CCC=C(C)C)C)Oc1cc(CCCCC)cc(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.031
InChIKey:FWFPIWVGGJOVMV-UHFFFAOYSA-N
ID: 65913
SMILES:C12c3c(cc(CCCC)cc3O)OC(O)(C)C1CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.67
InChIKey:DCUPNIWMDRYAQK-UHFFFAOYSA-N
ID: 65914
SMILES:CC(CC(=O)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.055
InChIKey:OAEMYZLSFWZUEY-UHFFFAOYSA-N
ID: 65915
SMILES:C12=C3C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c1C2CC(C)(O)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.015
InChIKey:LHZVXAWBPXHZMY-UHFFFAOYSA-N
ID: 65916
SMILES:C1C(C)=CC2C(C(CCC=C(C)C)(C)Oc3c2ccc(C)c3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 310.481
CB1 binding score: -16.901
InChIKey:MMGFPYHELGOCKV-UHFFFAOYSA-N
ID: 65917
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CCC=C(C)C)C(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -18.682
InChIKey:VAXXAKZKSONVIT-UHFFFAOYSA-N
ID: 65918
SMILES:C(c1c(O)cc(CCCCC)cc1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.313
InChIKey:RZTPKEWZQHLMRT-UHFFFAOYSA-N
ID: 65919
SMILES:C1(C(O)=O)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N