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Molecule Identifiers
Molecular Properties

ID: 134947

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 134948

SMILES:
C1(C(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 134949

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 134950

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134951

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)C)OC3(C1CCCC3C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.502

InChIKey:
BLHSCKOXVGYVBE-UHFFFAOYSA-N

ID: 134952

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -18.309

InChIKey:
KQWJMEAIWXADAY-UHFFFAOYSA-N

ID: 134953

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)(CCO)C(CC)C21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.618

CB1 binding score: -15.034

InChIKey:
YDJYOYGHCKFMLA-UHFFFAOYSA-N

ID: 134954

SMILES:
C(CCC(C)(C)O)C(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -16.769

InChIKey:
XFKHUMHXSQBYOH-UHFFFAOYSA-N

ID: 134955

SMILES:
C(C(OC1c2c(c(O)c(OC)cc2OC)OC(CC=C(CCC=C(C)C)C)(C)C1=O)=O)CCc1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.665

CB1 binding score: -13.905

InChIKey:
UYKJCKGFMNKALP-UHFFFAOYSA-N

ID: 134956

SMILES:
C1OC2(CCC(C)=CC2)OC(COC(C)=O)(C)C1Cc1cc(OC)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -13.842

InChIKey:
CSEZGUBHQQXVGR-UHFFFAOYSA-N

ID: 134957

SMILES:
C1(=O)OC(C(C)=CCCC(=CCc2cc(C)cc(O)c2O)C)CC1C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.28

InChIKey:
JHKBTAGLGRPYPR-UHFFFAOYSA-N

ID: 134958

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OC3OC(CO)C(O)C(O)C3O)c2CC1C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.545

CB1 binding score: -14.688

InChIKey:
RGJGSYUHYXSKSM-UHFFFAOYSA-N

ID: 134959

SMILES:
C(CC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 134960

SMILES:
c1(O)c(O)cc2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -15.901

InChIKey:
LAFGVUULSCFAQX-UHFFFAOYSA-N

ID: 134961

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 134962

SMILES:
CC1C(O)CC(C(C)=C)C12c1c(O)cc(C)cc1OC(C)(CCC=C(C)C)C2C(=O)Oc1ccc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.665

CB1 binding score: -12.465

InChIKey:
STXQCFZKUXWKLQ-UHFFFAOYSA-N

ID: 134963

SMILES:
C(C(=CCc1c(O)cc(CCCCC)cc1O)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 134964

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C(=O)O)CC(O)C1=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.655

InChIKey:
ANBAMESUYLYZOL-UHFFFAOYSA-N

ID: 134965

SMILES:
C(Cc1ccc(C2CC(C)=CC(c3cc(CCNC)ccc3OC)C2C(C)=C)cc1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 431.664

CB1 binding score: -15.107

InChIKey:
AGTUOKVFFAFZFM-UHFFFAOYSA-N

ID: 134966

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: 134967

SMILES:
Oc1cc(CCCCC)cc2c1C1C=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

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134947–134967 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties