ID: 52438
SMILES:O1c2c(c(O)cc(C)c2)C(CCC(=CCCC(C)=CC(=O)O)C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.792
InChIKey:JOEBOICHZQXVFO-UHFFFAOYSA-N
ID: 52439
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.9
InChIKey:UWBCYGUAEGZJRC-UHFFFAOYSA-N
ID: 52440
SMILES:CC1(C=C)C=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.346
InChIKey:FTHTUYWWSHIISZ-UHFFFAOYSA-N
ID: 52441
SMILES:CC(CCCC1(C)CCCC(C)(C)O1)CCc1cc(O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -15.763
InChIKey:NAVVIEOKLKHHDZ-UHFFFAOYSA-N
ID: 52442
SMILES:C12C(C)CC=C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.552
InChIKey:JOOJPAOQGSLKJI-UHFFFAOYSA-N
ID: 52443
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(C(C)C)CCC13C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.936
InChIKey:KYVIUDKNSDXJGH-UHFFFAOYSA-N
ID: 52444
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 52445
SMILES:CC(=CC1c2cc(CCCCC)cc(O)c2C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -13.978
InChIKey:UAOLVGNHXITNFC-UHFFFAOYSA-N
ID: 52446
SMILES:C(CCc1c(OS(=O)(O)=O)cc(CCCCC)cc1O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.446
CB1 binding score: -13.628
InChIKey:ICKLNNWYPABPOL-UHFFFAOYSA-N
ID: 52447
SMILES:C1CC2(C)CCC(C(C)(OC3OC(CO)C(O)C(O)C3O)C)C(c3c(OC)cc(CCCC)cc3O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.651
CB1 binding score: -14.239
InChIKey:SPTIYKKBTLEQGU-UHFFFAOYSA-N
ID: 52448
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52449
SMILES:c12cc(C)ccc1C(C)(C)Oc1c-2c(OCC=C(CCC2C(C)(C)O2)C)c(O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -12.97
InChIKey:BWYPEUBREZSIPS-UHFFFAOYSA-N
ID: 52450
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)c(CC=C(C)C)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.759
InChIKey:TUPYVLMRBITMKQ-UHFFFAOYSA-N
ID: 52451
SMILES:CC(CO)Cc1c(O)ccc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.788
InChIKey:BOXXUOAPXPOJKU-UHFFFAOYSA-N
ID: 52452
SMILES:Oc1cc(CO)cc2c1C1C(C(C)(C)O2)CC2(C)C(C)CCC13OC23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.552
InChIKey:AGHVWRFWJXVRCU-UHFFFAOYSA-N
ID: 52453
SMILES:C1(=O)C(C(=C)C)C(c2ccc(CCCCC)cc2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -13.482
InChIKey:BJCOMXSPKLTLSI-UHFFFAOYSA-N
ID: 52454
SMILES:C1(C=O)C2C(C(C)(C)Oc3cc(CCCCCCC)cc(OC)c32)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.535
InChIKey:QFHFVVAHZCLMPW-UHFFFAOYSA-N
ID: 52455
SMILES:C1(c2c(O)cc(CCC)cc2)C(C(C)(C)O)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.838
InChIKey:NMMZPZFRMUCCQT-UHFFFAOYSA-N
ID: 52456
SMILES:C1(C)CC2C(CC3C1c1c(O)cc(CCCCC)cc1O3)C(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -16.312
InChIKey:DCHHMRYFILVAIK-UHFFFAOYSA-N
ID: 52457
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 52458
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(OC)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.502
InChIKey:QKSUGOKEZCLBCQ-UHFFFAOYSA-N