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Molecule Identifiers
Molecular Properties

ID: 136711

SMILES:
C1CC2CC(C(O)(C)C)CCC2(C)Oc2c(CC=C(C)C)c(O)cc(CCCCC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -14.666

InChIKey:
JHKWICQAZAKTLY-UHFFFAOYSA-N

ID: 136712

SMILES:
C1(C)CCC2(C(=O)O)C(C1)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.462

InChIKey:
CUQDPZMEJGPLPK-UHFFFAOYSA-N

ID: 136713

SMILES:
C(c1c(O)cc(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 288.431

CB1 binding score: -16.605

InChIKey:
MMHGREGEOCWROM-UHFFFAOYSA-N

ID: 136714

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 136715

SMILES:
C1(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 136716

SMILES:
C(=C(C)C)CCC(=CCC1(O)C(=O)c2c(CCCCC)cc(O)cc2O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.073

InChIKey:
PGLWMIBMVXIWCZ-UHFFFAOYSA-N

ID: 136717

SMILES:
c12c(c(O)cc(CCCCCF)c1)C1C(CC=C(CCC=C(C)C)C1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.507

CB1 binding score: -15.67

InChIKey:
NXLIVTWMLKDVOG-UHFFFAOYSA-N

ID: 136718

SMILES:
Oc1cc(CC=C(CCC=C(C)C)C)cc(CCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -17.078

InChIKey:
JJXPHACVXNWWFL-UHFFFAOYSA-N

ID: 136719

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 136720

SMILES:
C1C(COC(=O)C)=CC2C(C(O)(C)CCC(C(C)=C)c3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.263

InChIKey:
RQWSNQVKUWYWLK-UHFFFAOYSA-N

ID: 136721

SMILES:
C1(C)=CCC2C(C)(C)Oc3c(cc(O)cc3C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.103

InChIKey:
UAROPZFMVWLPLJ-UHFFFAOYSA-N

ID: 136722

SMILES:
C1=C(C)CCC2C(C)(C)Oc3ccccc3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 136723

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 136724

SMILES:
C1C(O)C(O)(C)C2C3(C(C)CCC3C1C)Oc1cc(CCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -13.737

InChIKey:
JULSJECOMBGJAT-UHFFFAOYSA-N

ID: 136725

SMILES:
C1(CCC(C)=CCc2c(O)cc(CCCCC)c(O)c2)C(C)(C)CCCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Diterpenoids

Class: Cannabinoids;Cyclophytane diterpenoids

MW: 384.604

CB1 binding score: -13.713

InChIKey:
YNTHHSPAIQBHHD-UHFFFAOYSA-N

ID: 136726

SMILES:
Oc1cc(CC(C(O)(C)C)O)cc(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.985

InChIKey:
FZRDIRBXPPFOJV-UHFFFAOYSA-N

ID: 136727

SMILES:
C1C(O)C=C(C)CC2c3c(O)cc(CCCCC)c(C)c3OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.165

InChIKey:
DJBGAOFNJNRQHQ-UHFFFAOYSA-N

ID: 136728

SMILES:
C1C(=C)CCC(C)(C)C2Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.099

InChIKey:
TXATYBJIRPYVLL-UHFFFAOYSA-N

ID: 136729

SMILES:
C1CC(C(C)=C)C(c2cc(CCCCC)cc(OC)c2)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -15.152

InChIKey:
SDDZVGLZSAMNHD-UHFFFAOYSA-N

ID: 136730

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.914

InChIKey:
HBCUJBJRICCNPB-UHFFFAOYSA-N

ID: 136731

SMILES:
Cc1c(CC2C3(C)C(C)(C)C2C=CC3C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -15.697

InChIKey:
CPWSJKMRGJIGIJ-UHFFFAOYSA-N

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Molecule Overview

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