ID: 59557
SMILES:Oc1c(C(C(CC)C=C(C)C)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -12.291
InChIKey:JPMYBAAIWNSDAX-UHFFFAOYSA-N
ID: 59558
SMILES:CC1(C)Oc2cc(O)c(O)cc2C2OC(C)(C)C3C2C1CCC3C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.325
InChIKey:IOCQGEQVMFGVCA-UHFFFAOYSA-N
ID: 59559
SMILES:Oc1cc2c(c(C(=O)O)c1O)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.417
CB1 binding score: -16.236
InChIKey:TUSUVPXNTBCMRC-UHFFFAOYSA-N
ID: 59560
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)C(O)CC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -17.183
InChIKey:AREGKQBLOXHIRP-UHFFFAOYSA-N
ID: 59561
SMILES:c1(O)cc(CCC)c(C(=O)O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 59562
SMILES:C(CCC1=CC2c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C2CC1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.677
InChIKey:LVNFHOYGPKXMFX-UHFFFAOYSA-N
ID: 59563
SMILES:Cc1c2c(cc(CCCCC)c1)CC(C(O)(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.421
CB1 binding score: -15.433
InChIKey:CTDJTOKPVCDVKS-UHFFFAOYSA-N
ID: 59564
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 59565
SMILES:C(C)(OCC1=CCCC2C1c1c(cc(CC)cc1O)OC2(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.58
InChIKey:SLRLYUWRVCNTRJ-UHFFFAOYSA-N
ID: 59566
SMILES:c1(OC(F)(F)F)cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.331
CB1 binding score: -16.139
InChIKey:PXYRCDBAQVMDMJ-UHFFFAOYSA-N
ID: 59567
SMILES:C(CC(=CCc1cc(O)cc(C)c1O)C)C=C(CC1OC(=O)C(C)C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.334
InChIKey:UKIHTVVZTOBHII-UHFFFAOYSA-N
ID: 59568
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 59569
SMILES:O=C(C1=CC2c3c(cc(CCCCC)cc3OC(=O)C)C(C)(O2)CCC1O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -13.444
InChIKey:JKGRAWDVPWAADC-UHFFFAOYSA-N
ID: 59570
SMILES:C(CCCC)c1cc(O)c2c(c1C(OC)=O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.142
InChIKey:KFOODBCIZBVFSV-UHFFFAOYSA-N
ID: 59571
SMILES:c1(CCCCC)cc2c(c(OC)c1C=CCCCC)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.742
InChIKey:ZOPOZWQUZRQEEI-UHFFFAOYSA-N
ID: 59572
SMILES:O1C2CC(C)(C)CC3C12c1c(cc(CCCCC)cc1O)OC3=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.188
InChIKey:FXCKRRWBFIMUFP-UHFFFAOYSA-N
ID: 59573
SMILES:O(c1cc(CCCC)ccc1O)C1(C)C2CC(=O)C(C)=C2CC(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -17.842
InChIKey:GJWVGAPHACLDHK-UHFFFAOYSA-N
ID: 59574
SMILES:CC1CC(=O)C(CC=C)C2(c3cc(OC)cc(CCCCC)c3)OC(C)(C)C3CCC(C)C132
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -16.032
InChIKey:ISLUSIOARISTTN-UHFFFAOYSA-N
ID: 59575
SMILES:c12c(c(OC)cc(CCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.546
InChIKey:BKDVCSXBNXBCEJ-UHFFFAOYSA-N
ID: 59576
SMILES:CC(C1C2CCC3(C)C(Cc4c(O)cc(CCCCC)cc4O3)C2(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.009
InChIKey:LXVVSCBXYFHZLN-UHFFFAOYSA-N
ID: 59577
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.71
InChIKey:QQTIDTRRWYIZRE-UHFFFAOYSA-N