ID: 55000
SMILES:c12c(c(C(CCC=CC)=O)ccc1C)C(C)(C)Oc1c2cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -16.993
InChIKey:ZRWBJMLWYLJYEP-UHFFFAOYSA-N
ID: 55001
SMILES:C1C23C1c1c(cc(CCCCC)cc1OC(=O)C)OC2(C)CC3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.033
InChIKey:ZWRRPTZPKZKFJT-UHFFFAOYSA-N
ID: 55002
SMILES:C(=CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -17.558
InChIKey:DFBDQLQYOAHNAO-UHFFFAOYSA-N
ID: 55003
SMILES:CC12CC1C(C)(C)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.281
InChIKey:SNPXHKYVPTUMCL-UHFFFAOYSA-N
ID: 55004
SMILES:C1(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)OC1(C=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -13.489
InChIKey:FPCGEGJXUMQYCC-UHFFFAOYSA-N
ID: 55005
SMILES:CC(C1=CC(=O)C2(C)Oc3c(c(O)cc(C)c3)C3CCC(C)C13O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -19.383
InChIKey:LKXMEMBAYLQOMB-UHFFFAOYSA-N
ID: 55006
SMILES:c1c(O)c(CC=C(C)C)c(O)cc1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 55007
SMILES:C(OC(C)=O)C1=CC2C(C(C)(C)Oc3cc(CO)c(O)cc32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.267
InChIKey:ZOMJEAQKBKMVQO-UHFFFAOYSA-N
ID: 55008
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55009
SMILES:CC(CCC=C(C)C)=CCc1cc(CCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 55010
SMILES:C1=C(CO)CC(O)CC2(C)C1c1c(cc(CCCCC)c(C(=O)O)c1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -12.467
InChIKey:NHJOFSIBDULDLR-UHFFFAOYSA-N
ID: 55011
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(=C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.729
InChIKey:VHYDABIFTJKCRR-UHFFFAOYSA-N
ID: 55012
SMILES:CC12C(CCC(C(C)C)C1)Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.43
InChIKey:QYGOQAQTPCYXGL-UHFFFAOYSA-N
ID: 55013
SMILES:C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.27
InChIKey:PBVXSNIWCHRXCN-UHFFFAOYSA-N
ID: 55014
SMILES:C1(C)(C)CC2C3(C(C)CC1)C(OC3)Oc1cc(CCC(OCCCC)=O)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.805
InChIKey:CKPJLMBNLUSIQT-UHFFFAOYSA-N
ID: 55015
SMILES:C1CCC2(c3c(cc(CCCCC)cc3O)OC2(C)C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.25
InChIKey:PNSPUWUCFPJARZ-UHFFFAOYSA-N
ID: 55016
SMILES:O1P2CC3(C)CC(c4c(cc(CCCCC)cc4OC)O1)C2C3C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.477
CB1 binding score: -13.756
InChIKey:LNHDSYQWVCBWBU-UHFFFAOYSA-N
ID: 55017
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 55018
SMILES:CC1=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: 55019
SMILES:C1C(C(C)(C)O)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.722
InChIKey:BKMHHCHEXYBYLF-UHFFFAOYSA-N
ID: 55020
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3C(O)(CC(C)(C)CC3C1=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.024
InChIKey:OJVFIEKWRAJPRP-UHFFFAOYSA-N