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Molecule Identifiers
Molecular Properties

ID: 70918

SMILES:
c1(O)c2c(cc(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 70919

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 70920

SMILES:
Cc1c(O)c(CCCCC)c2c(c1O)C1C(CC=C(C)C1=O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.18

InChIKey:
RKIZGEDXMZUCBL-UHFFFAOYSA-N

ID: 70921

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 70922

SMILES:
C1(C(CCc2c(C)cccc2)C)(CO)Oc2c(c(O)cc(CCCCC)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.32

InChIKey:
UHLPEMZZXYASSX-UHFFFAOYSA-N

ID: 70923

SMILES:
C(C=CCCCc1cc2c(c(O)c1)C=CC(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.978

InChIKey:
GOVCLWZEWAMBDO-UHFFFAOYSA-N

ID: 70924

SMILES:
CC1(CCC2C(C)(C)CC(O)C=C2C)Oc2c(c(OC)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.987

InChIKey:
LMBGAOMBCNHHIG-UHFFFAOYSA-N

ID: 70925

SMILES:
CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -16.924

InChIKey:
KCGXMDXKALWXGC-UHFFFAOYSA-N

ID: 70926

SMILES:
C(CC=C(C)C)C1(C)C(O)Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.002

InChIKey:
ITDDKOGKAGSKEJ-UHFFFAOYSA-N

ID: 70927

SMILES:
C(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.552

InChIKey:
IQQWVNYGBXVDNU-UHFFFAOYSA-N

ID: 70928

SMILES:
C(=C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O)(C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -12.276

InChIKey:
BZLWBPVKJPBETE-UHFFFAOYSA-N

ID: 70929

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C1=C2C2=C(C(=O)C1(C)C)CC1(CC(C)(C=C)CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -11.923

InChIKey:
UBEXAGVFXZHKBV-UHFFFAOYSA-N

ID: 70930

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)cc(O)c(C(=O)CC(CC)CCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -14.991

InChIKey:
UEWJYAYZFPNDQH-UHFFFAOYSA-N

ID: 70931

SMILES:
CC1=CCCC(C)=CCC2(O)C1c1c(cc(CCCCC)c(C(=O)O)c1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.173

InChIKey:
WZEUHPKQROAWAF-UHFFFAOYSA-N

ID: 70932

SMILES:
C1C2C(C)(C)Oc3c(c(OC)cc(OC)c31)C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.833

InChIKey:
DFWFUCRYPBCAJF-UHFFFAOYSA-N

ID: 70933

SMILES:
C1(=O)C2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.435

InChIKey:
KOGZKNHAVWSIAP-UHFFFAOYSA-N

ID: 70934

SMILES:
Cc1c(O)c2c(cc1)OC(C)(C)c1C2C(O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.744

InChIKey:
RVLSFEMLSGXTEF-UHFFFAOYSA-N

ID: 70935

SMILES:
C12C(=C(OC)C(=O)C(O)=C1O)CC(O)C1(O)C(=C2)C2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.545

CB1 binding score: -13.882

InChIKey:
RKEXFZYIUILQKI-UHFFFAOYSA-N

ID: 70936

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(CO)(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19

InChIKey:
AWUDMACGDPCMRJ-UHFFFAOYSA-N

ID: 70937

SMILES:
C12C(c3c(OC)cc(C(C)C(OC(=O)C)CC)cc3O1)CC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.116

InChIKey:
TZZCNSUPUWSHFF-UHFFFAOYSA-N

ID: 70938

SMILES:
C(CC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C=C(C)C)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.686

CB1 binding score: -12.983

InChIKey:
ODTZQYQFHJOHLH-UHFFFAOYSA-N

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70918–70938 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