ID: 21631
SMILES:C12C(=C)C(C)(C)C3C1(C(C)(O)CC2)C(c1c(O)cc(CCC)cc1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.212
InChIKey:TWSCLWIHUFQDFP-UHFFFAOYSA-N
ID: 21632
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N
ID: 21633
SMILES:CC1C(=C(O)C(CC(C)C)=O)CC(CC=C(C)C)C(C)=CC1Cc1c(O)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.282
InChIKey:LLCPCQRUTDHYRS-UHFFFAOYSA-N
ID: 21634
SMILES:CC1(C)Oc2c(cc(C)c(CCCCC)c2)C2C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -17.036
InChIKey:SSHFXEIFLJISTK-UHFFFAOYSA-N
ID: 21635
SMILES:C(CCCC)c1cc2c(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: 21636
SMILES:C1(CC2C3(CCC2)COc2cc(CCCCC)cc(O)c2-3)C(C(C)=C)CC(c2cocc2)OC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -14.201
InChIKey:KROJLQUMEWCTIV-UHFFFAOYSA-N
ID: 21637
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 21638
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)c(C=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 21639
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 21640
SMILES:CCCCCCc1c(C(=O)O)c2c(c(O)c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -12.84
InChIKey:GDQMMOAXKIWZBP-UHFFFAOYSA-N
ID: 21641
SMILES:CC(CCC=C(C)C)=CCc1cc(CCCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 21642
SMILES:Oc1ccccc1C1C(C(C)=C)CC(CC(=O)NCCCO)C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -16.015
InChIKey:XDOUOWKUMGVAPQ-UHFFFAOYSA-N
ID: 21643
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.768
InChIKey:BKHURSBNBKLONY-UHFFFAOYSA-N
ID: 21644
SMILES:C(CCC(CCCc1c(-c2c(O)ccc(C3C(C(=C)C)CCC(C)=C3)cc(C(=O)O)c2)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 668.959
CB1 binding score: -14.079
InChIKey:WXNAYBSQTMZHAN-UHFFFAOYSA-N
ID: 21645
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C3C(C)(O2)CC(C)(O)CCC13C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.61
InChIKey:CBVKJSIAAVHLHJ-UHFFFAOYSA-N
ID: 21646
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 21647
SMILES:C1(=O)C2=C(c3c(cc(CCCCC)cc3)OC2(C)C)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -14.448
InChIKey:PXGMELRIODTWOR-UHFFFAOYSA-N
ID: 21648
SMILES:c12cc(CCCCC)cc(OC3C(O)C(O)C(O)C(CO)O3)c1CC(C)(C)C1OC21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.545
CB1 binding score: -14.801
InChIKey:IPNSWGOIIOZFHK-UHFFFAOYSA-N
ID: 21649
SMILES:OC(c1ccccc1)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.458
CB1 binding score: -14.605
InChIKey:LELQSMXUYGVULP-UHFFFAOYSA-N
ID: 21650
SMILES:c12c(c(C(C)=O)ccc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.675
InChIKey:NKRWZTHEOOWAAJ-UHFFFAOYSA-N
ID: 21651
SMILES:C1CC(C)(O)C2=C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.581
InChIKey:KOMHHQUQLWWWIU-UHFFFAOYSA-N