ID: 8884
SMILES:O1C2(C)CCC3(C(C)(C)Oc4cc(CCCCC)cc(O)c43)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.737
InChIKey:UVNVFYNVUGJDDE-UHFFFAOYSA-N
ID: 8885
SMILES:Oc1c(C(C(C)CC)=O)c(OC(=O)C)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -16.017
InChIKey:OCVOMWMBOYIWMB-UHFFFAOYSA-N
ID: 8886
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 8887
SMILES:c1(O)c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.585
InChIKey:HSSWXEGGDNCSBM-UHFFFAOYSA-N
ID: 8888
SMILES:C1CC(C(CO)=C)C2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.37
InChIKey:TXECEHWXIFISAB-UHFFFAOYSA-N
ID: 8889
SMILES:C12(C)C(CCC(C)C3C(c4c(cc(CCCCC)cc4O)O3)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.131
InChIKey:FKPXZVLLGXXDNS-UHFFFAOYSA-N
ID: 8890
SMILES:C(=C(CCC=C(C)C)C)CCC(=CCc1c(O)cc(C(O)CC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 372.549
CB1 binding score: -16.951
InChIKey:JVXFVQADELKCCB-UHFFFAOYSA-N
ID: 8891
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.444
InChIKey:KZIZDGKFDMZWDS-UHFFFAOYSA-N
ID: 8892
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 8893
SMILES:CC(=CC1CC(CCCC(=C)C)(C)Oc2cc(CCCCC)cc(O)c21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.477
InChIKey:ZGAGRNQSOWLUPR-UHFFFAOYSA-N
ID: 8894
SMILES:Oc1cc2c(cc1C)OC(C)(CCC=C(CC=CC(C)C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -18.334
InChIKey:ZVFIGQREIYTSEH-UHFFFAOYSA-N
ID: 8895
SMILES:C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 8896
SMILES:O1c2cc(CCCCC)c(OC)c(O)c2C2C1C(C(=C)C)CCC2(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.676
InChIKey:VADMRFMZUANEED-UHFFFAOYSA-N
ID: 8897
SMILES:CCCCCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(COC)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.952
InChIKey:NOJSVZVAAREPHD-UHFFFAOYSA-N
ID: 8898
SMILES:O=S(O)(Oc1cc2c(cc1CCC)OC(C)(CCC=C(CCC=C(C)C)C)C=C2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.598
CB1 binding score: -13.959
InChIKey:MUPPECLRJZINLR-UHFFFAOYSA-N
ID: 8899
SMILES:CC1CC2C(C(CO)(C)Oc3c2c(OC)cc(CCCCC)c3)C2C3OC3(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.907
InChIKey:YJGVGGZSLFVFHL-UHFFFAOYSA-N
ID: 8900
SMILES:Oc1c2c(c(Br)c(CCCC)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.337
CB1 binding score: -15.434
InChIKey:VCGSAQKPEIDGGS-UHFFFAOYSA-N
ID: 8901
SMILES:C1(CO)=CC2C(C=C1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.46
InChIKey:GBBFLMVSVMSLTN-UHFFFAOYSA-N
ID: 8902
SMILES:Oc1c2c(cc(CCCCC)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: 8903
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(CC3C(C)(O)CCC(C(O)(C)C)O3)=CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.72
CB1 binding score: -15.113
InChIKey:MBYXIBFJVRURDF-UHFFFAOYSA-N
ID: 8904
SMILES:C1C2C(OO)(Cc3c(O)cc(CCCCC)cc31)C(C)(OCC)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.64
InChIKey:LLYWUKJVIYYEIY-UHFFFAOYSA-N