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Molecule Identifiers
Molecular Properties

ID: 48028

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 48029

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.559

InChIKey:
NEOMHYIKJUAVNS-UHFFFAOYSA-N

ID: 48030

SMILES:
C(O)(=O)C1(C)CCCC2(C)C3CC4c5c(cc(CCCCC)cc5OC3(C)OC4)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.648

InChIKey:
XWYRDIAGVVSHLK-UHFFFAOYSA-N

ID: 48031

SMILES:
C1(C)=CCCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C(=O)C2=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -16.131

InChIKey:
GCXNVEIPOOKDSK-UHFFFAOYSA-N

ID: 48032

SMILES:
c12c(c(O)cc(CCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
WNSSGUWRFMVTAI-UHFFFAOYSA-N

ID: 48033

SMILES:
C(=O)(CC(C)=C)OOc1c(CC(O)=O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -14.052

InChIKey:
LCYFSSKKFAATNJ-UHFFFAOYSA-N

ID: 48034

SMILES:
CCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 48035

SMILES:
c1(OC)cc(O)c2c(c1O)C(=O)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.816

InChIKey:
KIGOUOZOGTYTFO-UHFFFAOYSA-N

ID: 48036

SMILES:
c12c(cccc1)OC(C(C)=CCc1c3c(c(O)cc1O)C1C(C(C)(C)O3)CCC1(C)O)CC2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.574

CB1 binding score: -13.227

InChIKey:
MEDJXAQPEHQGAU-UHFFFAOYSA-N

ID: 48037

SMILES:
C(c1cc(O)c(CC=C(C)C(CC=C(CCC=C(C)C)C)O)cc1O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -14.878

InChIKey:
LAQSFWPSEZNQDA-UHFFFAOYSA-N

ID: 48038

SMILES:
OCC(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -15.683

InChIKey:
DXWSFXZRXLERIB-UHFFFAOYSA-N

ID: 48039

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 48040

SMILES:
C12C(C)(Oc3c1c(O)cc(CCCCCC)c3)C1C(CCC2C)C(O)(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -14.148

InChIKey:
ZTGSWAUFLSMHKV-UHFFFAOYSA-N

ID: 48041

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 48042

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC1C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -11.314

InChIKey:
UTLXICDBVIBQFZ-UHFFFAOYSA-N

ID: 48043

SMILES:
C(C)CCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 48044

SMILES:
C(Cc1cc(O)c(C2C=C(C)C(O)CC2C(C)C)c(O)c1)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -16.33

InChIKey:
XMKXXAGGQVDUEQ-UHFFFAOYSA-N

ID: 48045

SMILES:
c12c3c(c(O)c(c1C)C1CC(C)=CCC1C(C)(C)O2)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.355

CB1 binding score: -11.673

InChIKey:
OXPUWECKELQNTP-UHFFFAOYSA-N

ID: 48046

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -19.71

InChIKey:
SFWRRSGOJSILSQ-UHFFFAOYSA-N

ID: 48047

SMILES:
C1(=C(C)C)CC2C(C)(Oc3cc(CCCCC)cc(O)c3C2O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.699

InChIKey:
ARMFNFSUVWGRNL-UHFFFAOYSA-N

ID: 48048

SMILES:
CC1(O)C2=CC(C(C)(C)Oc3cc(CCCCC)cc(O)c3)CCC(OC(C)=O)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -14.873

InChIKey:
HSYCCSAJYHMLEE-UHFFFAOYSA-N

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48028–48048 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