ID: 56638
SMILES:C1(=O)OC2C3C1(C)Oc1cc(CCCC)cc(O)c1OC3(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -14.467
InChIKey:QGYQDWSYMPRZNW-UHFFFAOYSA-N
ID: 56639
SMILES:Cc1c(CCC)ccc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.502
InChIKey:XORKLVNUFPPJLO-UHFFFAOYSA-N
ID: 56640
SMILES:CC1(C)C(CCC2(C)Oc3c(c(O)cc(C)c3)C=C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -19.337
InChIKey:CPBHEJIKHIHMDY-UHFFFAOYSA-N
ID: 56641
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.943
InChIKey:TUXYVWWGZQJUFK-UHFFFAOYSA-N
ID: 56642
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1CCC(C(=O)O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.706
InChIKey:LCQRHLUIMXHDPP-UHFFFAOYSA-N
ID: 56643
SMILES:C12(OO)CC(=O)C(C)=C(C1)C(C(C)C)C1c3c(O)cc(CCCCC)cc3OC1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.743
InChIKey:ZLRUFCLPIQLQBR-UHFFFAOYSA-N
ID: 56644
SMILES:c1c(CC(C)(C)O)cc(O)c(C2C=C(C)CCC2C(C)=C)c1-c1ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -15.929
InChIKey:LFSPVPPYEJSCER-UHFFFAOYSA-N
ID: 56645
SMILES:c1(O)c(-c2c(C(C)C)ccc(C)c2)c(CCCCC)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.675
CB1 binding score: -14.97
InChIKey:DFXNUZANLJDYFC-UHFFFAOYSA-N
ID: 56646
SMILES:OC(=O)C1C2CCC(O)(C)C2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -11.426
InChIKey:XRBIZWUBESVDPF-UHFFFAOYSA-N
ID: 56647
SMILES:COC(c1c(O)c(C=O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -16.438
InChIKey:QGLIPQAPHWOZQM-UHFFFAOYSA-N
ID: 56648
SMILES:Clc1c(O)c(C2C(C(C)=C)CCC(C)=C2)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.779
CB1 binding score: -15.521
InChIKey:SHJTXLLXAJECFB-UHFFFAOYSA-N
ID: 56649
SMILES:C(CC=C(CC(O)C1OC1(C)C)C)C(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.386
InChIKey:ANOHSZLIQIJQHD-UHFFFAOYSA-N
ID: 56650
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56651
SMILES:c1(O)c(C(=O)C(CC)C)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.81
InChIKey:LEYIJECALYWSRL-UHFFFAOYSA-N
ID: 56652
SMILES:C(CCC=C(CC)C)(=CCc1c(O)c(C)cc(OC)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.998
InChIKey:JOEMTWREQIGCCT-UHFFFAOYSA-N
ID: 56653
SMILES:C(C(OCc1cc2c(cc1C#C)oc1c(c2=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCC)=CC(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 552.711
CB1 binding score: -14.705
InChIKey:SHQCZMUTGMCAJP-UHFFFAOYSA-N
ID: 56654
SMILES:CC(C)=CCc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.939
InChIKey:WHHVQTKZKXTIGX-UHFFFAOYSA-N
ID: 56655
SMILES:C(Cc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.334
InChIKey:LYCPJDPEQPEFOU-UHFFFAOYSA-N
ID: 56656
SMILES:COC(=O)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 56657
SMILES:C1(C)=CC2c3c(cc(CCCCCC)cc3OC(C)C)OC(=O)C(CCC=C(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -13.806
InChIKey:NPASXDANPHZOQC-UHFFFAOYSA-N
ID: 56658
SMILES:C(c1cc(O)c(O)c2c1OC(C)(C)C1CC=C(C)CC21)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.89
InChIKey:KHTSRPVHMJNURC-UHFFFAOYSA-N