ID: 99961
SMILES:COc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1Oc1cc2c(cc1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -12.769
InChIKey:RWEPDSUWTQRYQO-UHFFFAOYSA-N
ID: 99962
SMILES:c1(O)c(C(C(CC)OC(C)=O)=O)cc(O)c2c1OC(C)(C)C1CCC(C(=O)O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.442
CB1 binding score: -17.44
InChIKey:JYROIBZXMAUCRZ-UHFFFAOYSA-N
ID: 99963
SMILES:c12c(c(O)ccc1)C1C(C(C)(C)O2)CCC(O)(C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -16.141
InChIKey:GXARLKSKIABAEX-UHFFFAOYSA-N
ID: 99964
SMILES:C1(C)(O)C=C2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C(=O)OC)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.847
InChIKey:NICQOHJXBHRJFB-UHFFFAOYSA-N
ID: 99965
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 99966
SMILES:C(CCCC)c1cc(O)c2c(c1O)CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.182
InChIKey:CEYIHNLLYKNEIF-UHFFFAOYSA-N
ID: 99967
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)cc2c(C)cccc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 308.421
CB1 binding score: -15.797
InChIKey:NXCSCWLONWDIIC-UHFFFAOYSA-N
ID: 99968
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C(CC=C(C)C2=O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.907
InChIKey:LDQPOSYGXMFWCB-UHFFFAOYSA-N
ID: 99969
SMILES:C1(C)(C)Oc2cc(O)cc(C)c2CC2C(C)=CC(=O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.429
InChIKey:KUADMHZHUBJJLF-UHFFFAOYSA-N
ID: 99970
SMILES:C(C)(CCC(O)C(C)(C)O)(O)C1Oc2ccc(CCCCCC)cc2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.526
CB1 binding score: -14.239
InChIKey:XEAXBAYLIBHZOY-UHFFFAOYSA-N
ID: 99971
SMILES:C1CC2(C)C(C=O)(C(C=O)=O)C(C(=C)C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -16.809
InChIKey:YTRJMJYFOYSFEZ-UHFFFAOYSA-N
ID: 99972
SMILES:CC(=CCCC(C)=CCCC(CCc1c(O)cc(CO)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.471
InChIKey:CEGAHSYKATWFTB-UHFFFAOYSA-N
ID: 99973
SMILES:COc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.356
InChIKey:NICPJKDMMYPBHE-UHFFFAOYSA-N
ID: 99974
SMILES:C1C(C)(CCC=C(C)C)Oc2c(c(O)cc(CC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.023
InChIKey:FXYWBZHODLBSLU-UHFFFAOYSA-N
ID: 99975
SMILES:C(CCc1c(O)c2c3c(c1)OC(C)(C)C1CCC(C)(O2)C31)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -7.632
InChIKey:YSYFNJYUVRDDMB-UHFFFAOYSA-N
ID: 99976
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 99977
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 99978
SMILES:C(CCCc1cc(O)c2c(c1O)CC1C(C)(CC(C(O)=O)CCC1)OC2C(=O)C)c1cc(O)c(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.627
CB1 binding score: -15.552
InChIKey:GWHVEZQXVJNROZ-UHFFFAOYSA-N
ID: 99979
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 99980
SMILES:Cc1c(O)ccc2c1CC1C(C)(O2)Oc2c(c(O)cc(CCCCC)c2)C1(C(O)(C)C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -14.22
InChIKey:KTGSUSXNIPEGIL-UHFFFAOYSA-N
ID: 99981
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1=CCC3(C)C1C2CC(C)C3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -15.62
InChIKey:BYAANRLSJSZOQL-UHFFFAOYSA-N