ID: 122347
SMILES:C1OC2(O)C(=O)c3c(cc(OC)cc3)Oc3cc(CCCCC)cc(O)c3C2C1C(C)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: -15.595
InChIKey:OAASEVATBPITFK-UHFFFAOYSA-N
ID: 122348
SMILES:C1C=C(C)CCC2C(C)(C)Oc3cc(C)ccc3C12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 256.389
CB1 binding score: -17.194
InChIKey:WIOSFWDNUILLER-UHFFFAOYSA-N
ID: 122349
SMILES:c12c(ccc(CCCCC)c1)C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.687
InChIKey:FAILRRYKWGYKKV-UHFFFAOYSA-N
ID: 122350
SMILES:C1C(C(C)C)C2c3c(cc(CCCCCS)cc3O)OC(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.579
CB1 binding score: -14.605
InChIKey:FATTXHRGWMIJRP-UHFFFAOYSA-N
ID: 122351
SMILES:O=C1c2c(CCCCC)cc3c(c2)OC(C)(C)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.504
InChIKey:DMPOGSXSFAJVMQ-UHFFFAOYSA-N
ID: 122352
SMILES:C(C=C(C)C)C1C2COC(CCCCO)=C1C=CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -16.666
InChIKey:DPIONFBGGYNBDT-UHFFFAOYSA-N
ID: 122353
SMILES:C1(C)(CCC=C(CCC(O)C(O)(C)C)C)Oc2cc(CCC)cc(O)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.26
InChIKey:CJQYOQWVUULFRX-UHFFFAOYSA-N
ID: 122354
SMILES:c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCC(C)=CC(CC(C)C)=O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.559
InChIKey:PRRKFQRTNIDNHZ-UHFFFAOYSA-N
ID: 122355
SMILES:CCCc1c2c(cc3c1CC1C(C)(O)CCC1C(C)(C)O3)OC(C)(C)C(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.306
InChIKey:KCOKZBCTLMHZFP-UHFFFAOYSA-N
ID: 122356
SMILES:C12C(=CN(C)CCC(C)C)C(=O)OC13C1(C(=C2O)C(C)(C)OC3C)C(=O)C2=C(OC1(C)C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 485.621
CB1 binding score: -13.509
InChIKey:JUJMTWAFWYOOEU-UHFFFAOYSA-N
ID: 122357
SMILES:O(c1c(OC)c(C)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.656
InChIKey:ANBUULASGTVCEH-UHFFFAOYSA-N
ID: 122358
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CCC2C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.665
InChIKey:KUHJILMTPPCQHV-UHFFFAOYSA-N
ID: 122359
SMILES:OC1CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.442
InChIKey:FRBSLGKYEBNHLH-UHFFFAOYSA-N
ID: 122360
SMILES:c1c(C2C=C(C)CCC2C(C)(O)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 122361
SMILES:c1c(O)cc(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.948
InChIKey:OFPSTJFCCUOHFQ-UHFFFAOYSA-N
ID: 122362
SMILES:c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 122363
SMILES:C(C(c1cc2c(c(O)c1)CCC(C)(C)O2)C)=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.388
InChIKey:RHNUFGRLSPVZBB-UHFFFAOYSA-N
ID: 122364
SMILES:C(CC(C)CCC1(C)Oc2cc(C)cc(O)c2CC1)CCc1ccc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.474
InChIKey:PTCKABTUEUGDSK-UHFFFAOYSA-N
ID: 122365
SMILES:C1=CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.662
InChIKey:GPTWLADYUHSMKE-UHFFFAOYSA-N
ID: 122366
SMILES:CCCC(=O)Oc1cc(C)c2c(c1)C=CC(CCC1C(C)(C)CCCC1(C)O)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.622
InChIKey:BETBWRHQSFXMPU-UHFFFAOYSA-N
ID: 122367
SMILES:C(C)OC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.087
InChIKey:FJSHBIUGPPFRMX-UHFFFAOYSA-N