ID: 50905
SMILES:c1(C)cccc(CCCC(Oc2c(CC=C)cc(CCCCC)cc2OC(=O)C)C=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 462.674
CB1 binding score: -13.842
InChIKey:LKTIUVADLWRXLK-UHFFFAOYSA-N
ID: 50906
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)c(C(CCC)=O)c(C(C)C(=O)CC(C)C)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -14.132
InChIKey:RAPWSSKBJJFQSO-UHFFFAOYSA-N
ID: 50907
SMILES:c1c(COC)cc2c(c1O)CC1C(CCC1=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -14.918
InChIKey:CCFPYRNOSSTEIU-UHFFFAOYSA-N
ID: 50908
SMILES:O(CCCC)c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.164
InChIKey:AZZDROLPVKAJPO-UHFFFAOYSA-N
ID: 50909
SMILES:c12c(cc(CCCCC)cc1O)OC(C=C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.75
InChIKey:MVFQEITVCBZWPU-UHFFFAOYSA-N
ID: 50910
SMILES:Oc1cc(CCCC)cc2c1C1C=C(C(=O)O)CCC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.879
InChIKey:IUEYULHVLLDDOQ-UHFFFAOYSA-N
ID: 50911
SMILES:C(CC)C(Nc1c(CO)cc(O)c(C2C=C(C)CCC2C(=C)C)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.466
CB1 binding score: -15.383
InChIKey:WLZYVKRIESMLLU-UHFFFAOYSA-N
ID: 50912
SMILES:CC1(C)CCc2c3c(c(CC(C(O)(C)C)O)cc2)OC(C)(C)C2C3CC(C)(CC2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.929
InChIKey:YFCYPSONFNCTLL-UHFFFAOYSA-N
ID: 50913
SMILES:CC1=C2CCC(C(OC)=O)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.792
InChIKey:AJWAPFJAYRRPTD-UHFFFAOYSA-N
ID: 50914
SMILES:O(C)c1cc2c3c(c4c(c2o3)C(O)C1C)C1C(CCC(C)=C1)C(C)(C)O4
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -13.509
InChIKey:GDKOKGOSNNCSKT-UHFFFAOYSA-N
ID: 50915
SMILES:c1(O)cc(CCCCC)c(OC)c2c1C13CC(O)C(C)(C)C4C(CC41)C(C)(O2)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.204
InChIKey:HSZFZZPZXNEEBO-UHFFFAOYSA-N
ID: 50916
SMILES:ClC12C(C)(CC(OC(C)=O)C(Br)C1(C)C)Oc1c(c(O)cc(CCC)c1)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 473.835
CB1 binding score: -16.875
InChIKey:TYQCNQVRURIYBV-UHFFFAOYSA-N
ID: 50917
SMILES:CC1(C=C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(C(C)C)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -17.161
InChIKey:MAHQDDPOZRDEIS-UHFFFAOYSA-N
ID: 50918
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.485
InChIKey:UOLFVTXVWQDBHF-UHFFFAOYSA-N
ID: 50919
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -18.334
InChIKey:QLPVCOQUNQFEAZ-UHFFFAOYSA-N
ID: 50920
SMILES:C1=C(C)CC(c2c(O)ccc(CCNC(=O)C)c2)OC2C1(O)C(O)C(C(C)=C)CC(=O)C(CC=C(C)C)(C(C)=C2O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 583.722
CB1 binding score: -15.929
InChIKey:SYMJAHWKFPXUPY-UHFFFAOYSA-N
ID: 50921
SMILES:COc1c(OC(CCCCCCC)=O)cc(OC)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.395
InChIKey:PMTAIWSXJOOJDA-UHFFFAOYSA-N
ID: 50922
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 50923
SMILES:C1c2c(O)c(C(C(C)C)=O)c(CCCCC)cc2OC(C)(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -12.906
InChIKey:WHYSOHRRNHZMPH-UHFFFAOYSA-N
ID: 50924
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 50925
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc2c(c1)OC(C)(CO)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -13.017
InChIKey:CDXBBUDMDGHFQG-UHFFFAOYSA-N