ID: 98953
SMILES:c1(O)c(C(OC)=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 98954
SMILES:C1(C)=CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 98955
SMILES:c12c(c(O)c(C(=O)OC)c(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.04
InChIKey:GRWFZPQUKCWTPU-UHFFFAOYSA-N
ID: 98956
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC(C)(O)CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.76
CB1 binding score: -15.929
InChIKey:NDFXRINXUUBEDZ-UHFFFAOYSA-N
ID: 98957
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2=CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.957
InChIKey:BXBPYYDKENEJGP-UHFFFAOYSA-N
ID: 98958
SMILES:CC1(C)Oc2cc(O)cc(CCCCC)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.133
InChIKey:NWNXONBQZMRACD-UHFFFAOYSA-N
ID: 98959
SMILES:CC1CC2C(c3c(O)c(C(O)=O)c(CCCCC)cc3OC2(C)C)C=C1CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.97
InChIKey:BNWRAFKCYSGROH-UHFFFAOYSA-N
ID: 98960
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 286.415
CB1 binding score: -16.514
InChIKey:PJXUNRUJIFHTFA-UHFFFAOYSA-N
ID: 98961
SMILES:C(C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 98962
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.988
InChIKey:SOJHVNJFTZELFD-UHFFFAOYSA-N
ID: 98963
SMILES:Oc1c(CC=C(C)CC=CC(C)(O)C)cc(O)c(C2C(C(C)C)CCC(C)=C2)c1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.195
InChIKey:JCTSQUWSMDECGU-UHFFFAOYSA-N
ID: 98964
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CCC(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 98965
SMILES:c1(O)c(C)c(O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.84
InChIKey:LEMHOGCTMPDYOF-UHFFFAOYSA-N
ID: 98966
SMILES:O(c1c(C=O)cc(O)c(C2C=C(C)CCC2C(=C)C)c1)C(=O)C(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.965
InChIKey:KINPOPGOFBMZBD-UHFFFAOYSA-N
ID: 98967
SMILES:OC1C(C)=CC2C(=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.544
InChIKey:DBNWFDGFVWEGMJ-UHFFFAOYSA-N
ID: 98968
SMILES:c1c(C2(C)C(C=C(C)C)O2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.836
InChIKey:VELSNIUTKIYEQR-UHFFFAOYSA-N
ID: 98969
SMILES:C12(C)C(Cc3c(OC(=O)C)cc(CCCCC)cc3O1)C1C(C)(CCC1C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.893
InChIKey:PXHSXRQJSDZMLS-UHFFFAOYSA-N
ID: 98970
SMILES:c1(O)cc2c(cc1OC)OC(C)(C)C1CCC(C)=CCCC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.797
InChIKey:ZOSVXLMSEXMETQ-UHFFFAOYSA-N
ID: 98971
SMILES:C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -18.149
InChIKey:PWNRYJVNGXSCQW-UHFFFAOYSA-N
ID: 98972
SMILES:COc1c(C2C(C(=C)C)C(c3cc(CCN(C)C)ccc3OC(=O)C)CC(C)=C2)c2c(c(CC=C(C)CCC=C(C)C)cc(O)c2)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 679.942
CB1 binding score: -16.234
InChIKey:WDCZOQVCWYCATO-UHFFFAOYSA-N
ID: 98973
SMILES:C1(C)CCCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.905
InChIKey:CWEIUCQSKUKDOC-UHFFFAOYSA-N