ID: 67768
SMILES:C1C(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 67769
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1C(=O)CC(CCC=C(C)C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.605
InChIKey:NXUHOHSQYWXOKP-UHFFFAOYSA-N
ID: 67770
SMILES:CC(=O)OC(C1CCC(C)C23OC12Cc1c(cc(CCCCC)cc1O)OC3(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -12.432
InChIKey:IHRNIJUWVUTAHJ-UHFFFAOYSA-N
ID: 67771
SMILES:C(C=C(C)C)C1=C(OC)C(O)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.417
InChIKey:OKGPSFZZBHGFNV-UHFFFAOYSA-N
ID: 67772
SMILES:Oc1cc(CCCCC)c2c(c1Br)OC1(C)CC2C(=O)C(C)(C)C2C1C(O)C(C)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 505.449
CB1 binding score: -13.968
InChIKey:WOOLRHXJJKZHCY-UHFFFAOYSA-N
ID: 67773
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1c(C)ccc2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.926
InChIKey:JUYGZFFPQIBMLX-UHFFFAOYSA-N
ID: 67774
SMILES:c12cc(CCCCC)cc(O)c1C1C3(O2)C(C)(CCC2(O)C3(C)CCC(O)C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -13.909
InChIKey:KWDFPUCSBQJGTG-UHFFFAOYSA-N
ID: 67775
SMILES:C1C2OC(C)(C)C(c3c(O)cc(CCCCC)cc32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.755
InChIKey:WKWMMNQSOVFVGP-UHFFFAOYSA-N
ID: 67776
SMILES:CCCCCCc1cc2c(cc1O)OC1(C)C2CC(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.541
InChIKey:RXTGLQKEBPBPJS-UHFFFAOYSA-N
ID: 67777
SMILES:C1(CO)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.883
InChIKey:UHPCEWLXTUJHSB-UHFFFAOYSA-N
ID: 67778
SMILES:CC(=CCc1cc(O)c2c(c1)OC1(C)CCC3C(C)(CCC)C3CC1C2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -11.634
InChIKey:DQTPVDKMYQVCKU-UHFFFAOYSA-N
ID: 67779
SMILES:C12(O)C(CC(C)=CC1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.016
InChIKey:DYJVRFKTUHQJIG-UHFFFAOYSA-N
ID: 67780
SMILES:C1C(C)=CC(c2c(O)cc(CCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 67781
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)c(OC)cc(CCCCC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.521
InChIKey:YFFGQZNHJHRWHQ-UHFFFAOYSA-N
ID: 67782
SMILES:C(CCCC)c1ccc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 67783
SMILES:C1C=C(C)CCC12C(C)(C)Oc1cc(CCCCC)c(C(=O)OC)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.594
InChIKey:PNWZYSFORZJWBQ-UHFFFAOYSA-N
ID: 67784
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3(C)C(CCC12C)C(C)(C(=O)O)CCC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.866
InChIKey:VWTOBQJBWJCXRW-UHFFFAOYSA-N
ID: 67785
SMILES:C1=C(C)CCC=C(C)CCC(O)C(C)(C)Oc2cc(CCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.801
InChIKey:SBGNGYCZNHYPHI-UHFFFAOYSA-N
ID: 67786
SMILES:CC1(C)C2(C)CCC(=C)C(CCC(C)=CCc3c(O)cc(CCC)cc3O)C(=O)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -16.296
InChIKey:WYOXXYXWCUKNBS-UHFFFAOYSA-N
ID: 67787
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C(O)C(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -12.826
InChIKey:QIOREZKKQHFSJF-UHFFFAOYSA-N
ID: 67788
SMILES:C12c3c(O)cc(C)cc3OC(C)(C)C(C1)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.388
InChIKey:BRHYZHMGIYIQFB-UHFFFAOYSA-N