ID: 72241
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CC(C)(C)OCC2(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.673
InChIKey:RQTNTXYXSJKZDN-UHFFFAOYSA-N
ID: 72242
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:OUNVQELVMFLOGJ-UHFFFAOYSA-N
ID: 72243
SMILES:C(CCCc1ccc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.926
InChIKey:PHOCHXXTKASADH-UHFFFAOYSA-N
ID: 72244
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.334
InChIKey:PVONXMJGOLYCMZ-UHFFFAOYSA-N
ID: 72245
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(CCC1(C)CCCC(C)C1=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -14.27
InChIKey:VQJUELZDYKVJPT-UHFFFAOYSA-N
ID: 72246
SMILES:C12C(O)(C(OC(=O)C)CC(CO)C1CO)C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.572
CB1 binding score: -15.425
InChIKey:YXIQJAVRUNXQDC-UHFFFAOYSA-N
ID: 72247
SMILES:C12CC(Cl)C(C)(O)CC1C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.821
CB1 binding score: -15.831
InChIKey:PJMROXXRQFINGN-UHFFFAOYSA-N
ID: 72248
SMILES:CN(C)CCc1cc2c(cc1O)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.456
CB1 binding score: -15.433
InChIKey:JKBYWGXXPQPRGZ-UHFFFAOYSA-N
ID: 72249
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 72250
SMILES:CC(O)(C)CCCC1=CC(c2c(O)c(O)cc(O)c2)C(C)(CCC=C(C)C)C(CC=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -14.823
InChIKey:MQKAAMYNFWAKFZ-UHFFFAOYSA-N
ID: 72251
SMILES:OC1(CO)CC2(C)C(C1C(=O)OC)c1c(cc(C)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.33
CB1 binding score: -14.817
InChIKey:WIQWLBSYDBYWES-UHFFFAOYSA-N
ID: 72252
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 72253
SMILES:C1(C(C)C)CC(O)C(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.77
InChIKey:LAXJVOZUDHUTET-UHFFFAOYSA-N
ID: 72254
SMILES:C1=C(C)CCC(O)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.797
InChIKey:MGIXWSVEBQSULG-UHFFFAOYSA-N
ID: 72255
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C1Cc1ccc(O)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -13.755
InChIKey:CYAIVVCVVOADNH-UHFFFAOYSA-N
ID: 72256
SMILES:C(c1cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 72257
SMILES:c1(-c2c(O)c3c(cc(CCC)cc3O)OC2(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.613
CB1 binding score: -13.443
InChIKey:YSXXPPYIGUTWLP-UHFFFAOYSA-N
ID: 72258
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)c(Cl)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.914
CB1 binding score: -16.382
InChIKey:MIAHOZITLDYHKB-UHFFFAOYSA-N
ID: 72259
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C(OC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.431
InChIKey:CWSRLTJMJDLKNA-UHFFFAOYSA-N
ID: 72260
SMILES:C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.27
InChIKey:JNUWKSNIBRJTBP-UHFFFAOYSA-N
ID: 72261
SMILES:C(CCC)CCCc1cc2c(c(O)c1)C1C3(O2)OC(C)(C)C1C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.104
InChIKey:DVZINMCZQOHXQM-UHFFFAOYSA-N