ID: 60859
SMILES:O=C(O)CCCC(C)C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C1CC=C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.73
CB1 binding score: -12.765
InChIKey:HKHFOJMGHOWLRN-UHFFFAOYSA-N
ID: 60860
SMILES:c1(O)c(CCCCC)cc(O)c2c1OC1C(C)(CC(C)(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.939
InChIKey:GWASUXIITZRFRA-UHFFFAOYSA-N
ID: 60861
SMILES:c12cc(O)cc(O)c1c1c(cc2O)OC(C)(C)C2CCC(O)(C)C(CCC(C)(O)C)C(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -13.803
InChIKey:OHIGNYRPOBMKDS-UHFFFAOYSA-N
ID: 60862
SMILES:C(c1c(O)cc2c(c1CCCC)OC(C)(C)C1CC=C(C)CC1(OO)C2O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -16.043
InChIKey:IKYQPGQHZWZJSS-UHFFFAOYSA-N
ID: 60863
SMILES:Oc1cc(CCCC)cc2c1-c1c(cc(O)cc1)C(C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.737
InChIKey:KFJBLJKRKWBSOH-UHFFFAOYSA-N
ID: 60864
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60865
SMILES:C1(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C2C(CC(C)C12)C3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.097
InChIKey:OQRMERDOGMYZTM-UHFFFAOYSA-N
ID: 60866
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=CC3(C)C(=CC1=O)C(O)C(C(C)=O)=C(O)C3=N2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 465.546
CB1 binding score: -14.91
InChIKey:AWQDSHOGCJXKMH-UHFFFAOYSA-N
ID: 60867
SMILES:C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 60868
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.103
InChIKey:CQGIDMUKNMQXCY-UHFFFAOYSA-N
ID: 60869
SMILES:CC(C1CC=C(C)CC1c1c(O)cc(CC)cc1O)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -12.101
InChIKey:BQPHXGYGEPUYAS-UHFFFAOYSA-N
ID: 60870
SMILES:C1C(C)(C)Oc2cc(CO)c(O)c(C(CCCCCCC)C)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -14.536
InChIKey:WCJRVSWCYWOALR-UHFFFAOYSA-N
ID: 60871
SMILES:Oc1c(CCCCC)ccc2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.617
InChIKey:HBEWVKJZXYEZIN-UHFFFAOYSA-N
ID: 60872
SMILES:O(c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C=C(C(O)=O)CC1)C(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.614
InChIKey:ICLSMBVNLFYVOX-UHFFFAOYSA-N
ID: 60873
SMILES:O(C)c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 60874
SMILES:C1=C(C)CCC=CC2C(C(C)(C)Oc3cc(CCc4cccc(O)c4)c(O)c(c32)C(O)C=C(CO)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -14.133
InChIKey:LLBAOVDTTXMTNT-UHFFFAOYSA-N
ID: 60875
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.824
InChIKey:SNQWHXRTUXZXPM-UHFFFAOYSA-N
ID: 60876
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60877
SMILES:c1(O)c2c(cc(C)c1)OC1(C)C3C2C=C(C)CCC3C(C)(CCCC(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.372
InChIKey:NPDBVSNBXJIKDK-UHFFFAOYSA-N
ID: 60878
SMILES:O(c1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N
ID: 60879
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N