ID: 81649
SMILES:C1CCC(C)(C)C2C(O)Oc3cc(CCCCC)cc(O)c3C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.62
InChIKey:JLXYDLXUDAPJIS-UHFFFAOYSA-N
ID: 81650
SMILES:C(C)(=CCc1cc(C(=O)OC)cc2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 354.49
CB1 binding score: -13.563
InChIKey:KXYXCRUBPXXESQ-UHFFFAOYSA-N
ID: 81651
SMILES:C(CC(OO)CC(C)c1cc(O)c2c(c1C(=O)C)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -16.502
InChIKey:OHZDNKHJFBSVBK-UHFFFAOYSA-N
ID: 81652
SMILES:C12CC(c3c(O)cc(CCCCC)cc3O)C(C)(CCC1C(C=CC(C)C(O)(C)C)=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -16.502
InChIKey:WCGZWHRPDRFAKU-UHFFFAOYSA-N
ID: 81653
SMILES:CC(C)(O)C=CCC1(C)Oc2c(c(O)cc(C(O)C(C)C)c2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.237
InChIKey:SQXRIHNBAQVKKS-UHFFFAOYSA-N
ID: 81654
SMILES:C(C)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 81655
SMILES:C1C(N=C=O)(C)CC(Cl)C2C(C)(Cc3c(O)c(C(O)=O)c(CCCCC)cc3O)C1OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 465.974
CB1 binding score: -14.461
InChIKey:DHVHSSMVDGWUJR-UHFFFAOYSA-N
ID: 81656
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 81657
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.555
InChIKey:WEVYNIJDEFFKLF-UHFFFAOYSA-N
ID: 81658
SMILES:c1(O)c(CCC=CC)c2c(cc1C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.773
InChIKey:LAVUIBWPXCRGJT-UHFFFAOYSA-N
ID: 81659
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.493
InChIKey:ITYHJPGRQYSNFQ-UHFFFAOYSA-N
ID: 81660
SMILES:Oc1c(C)c2c3c(cc(C)c2-c2c(C)c(CCCCC)cc4c2OC(C)(C)C1C4)OC(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: Not available
InChIKey:CSZQWPXIZOFSRW-UHFFFAOYSA-N
ID: 81661
SMILES:O(c1c2c(c(Cl)c(OC)c1)OCO2)C1CC(C)=CC(c2c(OC)cc(CCCCC)cc2)C1C(C)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 513.074
CB1 binding score: -15.36
InChIKey:UFHLFMMDJLGIJZ-UHFFFAOYSA-N
ID: 81662
SMILES:O=C(O)C1=CC2C(CC1)C(CO)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.209
InChIKey:TXZYAOXILZNXFF-UHFFFAOYSA-N
ID: 81663
SMILES:C1(O)C(O)C(Oc2c3c(cc(CCCCC)c2)OC2(C)C4C3CC(C)(C)CC4=C2)OC(COC2C(O)C(CO)(O)CO2)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 620.736
CB1 binding score: -16.545
InChIKey:FKNDQSQEPRORFS-UHFFFAOYSA-N
ID: 81664
SMILES:CC1(C)Oc2cc(CCc3ccccc3)cc(O)c2C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 81665
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 81666
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.404
InChIKey:IBSBWOIOMTZHJY-UHFFFAOYSA-N
ID: 81667
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C1OC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.474
InChIKey:VKCYDTZQIMVEOU-UHFFFAOYSA-N
ID: 81668
SMILES:C12C(C(=C)CC1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.729
InChIKey:VHYDABIFTJKCRR-UHFFFAOYSA-N
ID: 81669
SMILES:C(Cc1c(OC)cc(O)c2c(=O)cc(C3C=C(C)CCC3C(C)=C)c(O)c(OC)c21)=CC(C)(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.601
CB1 binding score: -14.016
InChIKey:VVMPBTXDLLDITA-UHFFFAOYSA-N