ID: 43345
SMILES:CCCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 43346
SMILES:C12C(C)CCC1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.334
InChIKey:WFOWOVLQLNMZPU-UHFFFAOYSA-N
ID: 43347
SMILES:C12C(C)CCC1=C(O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.278
InChIKey:PKZOMFJIHPNAIM-UHFFFAOYSA-N
ID: 43348
SMILES:c1c(O)c(O)cc2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -20.544
InChIKey:MBKJEOZJMBSFKH-UHFFFAOYSA-N
ID: 43349
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.467
InChIKey:KSAFPPBVVHMLQY-UHFFFAOYSA-N
ID: 43350
SMILES:CC12CCC(C(C)C)C1c1c(cc(CCCCC)cc1O)C=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -15.421
InChIKey:LRBNNYXWXJAAOT-UHFFFAOYSA-N
ID: 43351
SMILES:c1(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 43352
SMILES:c1c(O)cc(C)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.35
InChIKey:XAYRLUBHJAOWEN-UHFFFAOYSA-N
ID: 43353
SMILES:O1C2(OC)Cc3ccc(c(C=O)c3)OC(C)(C)C2CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.653
InChIKey:DIKQEYCRPXCZBI-UHFFFAOYSA-N
ID: 43354
SMILES:C1(O)C2(C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2(O)Oc2cc3c(cc21)C(=O)CC1C(C)(C)CCC=C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.677
CB1 binding score: -15.405
InChIKey:OZRBRQZYIJANQN-UHFFFAOYSA-N
ID: 43355
SMILES:C(CCCC)CCc1cc2c(c(O)c1)C1C=C(C(=O)O1)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -17.11
InChIKey:XSYKTRGYJRZHIV-UHFFFAOYSA-N
ID: 43356
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43357
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(COC(C)=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.833
InChIKey:KUXDVXVRZZGDMG-UHFFFAOYSA-N
ID: 43358
SMILES:C123CC4C(OC(=O)C4CN1C)c1c(cc(CCCCC)cc1OC)OC2(C)CCC3=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.623
CB1 binding score: -14.528
InChIKey:SRSXGZQLFYFMNR-UHFFFAOYSA-N
ID: 43359
SMILES:CC1(CCC=C(C)C)Oc2c(O)cc(CCC)cc2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.747
InChIKey:XMNROVQWKXIDRH-UHFFFAOYSA-N
ID: 43360
SMILES:CCCCCCCCCC(OC(C)=O)c1c(OC(=O)C)c(OC(=O)C)c2c(c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.729
CB1 binding score: -13.155
InChIKey:YGKZAOMDGKDNDA-UHFFFAOYSA-N
ID: 43361
SMILES:O=C(Oc1c2c(ccc1O)OC(C)(C)C1C2C(OC(=O)C(O)(C)C)C2(C)OC2C1=O)C(C)=CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.506
CB1 binding score: -15.177
InChIKey:ZILXDEVMCHFUGL-UHFFFAOYSA-N
ID: 43362
SMILES:C1C2C(C(O)CC1(O)CO)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -17.063
InChIKey:AZEQWJBOIRMDHW-UHFFFAOYSA-N
ID: 43363
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43364
SMILES:Oc1c(O)c2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.286
InChIKey:NHNAENUOFBTILX-UHFFFAOYSA-N
ID: 43365
SMILES:O(c1c(C(=O)C(C)C)c2c(c(OC)c1)C1CC(C)=CCC1C(C)(C)O2)C(CCCCC)CC(O)C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.746
CB1 binding score: -11.639
InChIKey:NZGDSTJLOCNWNJ-UHFFFAOYSA-N