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Molecule Identifiers
Molecular Properties

ID: 116908

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C(C(C)=C)CCC(C)(O)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.842

InChIKey:
LSFUYICTGDCEEG-UHFFFAOYSA-N

ID: 116909

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)c2c(c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.541

InChIKey:
LETQPADZPLEXPZ-UHFFFAOYSA-N

ID: 116910

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 116911

SMILES:
c1(CCOCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.693

InChIKey:
BUUBFXZIIQALOJ-UHFFFAOYSA-N

ID: 116912

SMILES:
C(C1C=CC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.442

InChIKey:
CWNKYPLGOVIDLS-UHFFFAOYSA-N

ID: 116913

SMILES:
CC(C)C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.736

InChIKey:
HIYKJGLSDHNPTF-UHFFFAOYSA-N

ID: 116914

SMILES:
CC1(O)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -17.895

InChIKey:
XGOQKGDRCOBMMA-UHFFFAOYSA-N

ID: 116915

SMILES:
c1(CCO)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.582

InChIKey:
PDYKIGRVNVKGPA-UHFFFAOYSA-N

ID: 116916

SMILES:
C(CCc1cc2c(c(O)c1)CC1C(C)(O2)CCCC1(C)C)c1cc(C(C)C)c(O)c2c1C(=O)C=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.678

CB1 binding score: -14.157

InChIKey:
GLVOGFBSQAHPLG-UHFFFAOYSA-N

ID: 116917

SMILES:
c1(CCCCC)ccc(CC2C=CC3C(C(=C)C)CCC4(C)OC4C23)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -13.842

InChIKey:
MBIRYXSUFYBPCD-UHFFFAOYSA-N

ID: 116918

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 116919

SMILES:
C1C(O)(C)C2(C(C)(C)CC1=O)Oc1cc(CCCCC)cc(O)c1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -4.466

InChIKey:
MTCVGDOFDRANRD-UHFFFAOYSA-N

ID: 116920

SMILES:
c1(OCc2ccccc2)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -16.668

InChIKey:
WDDNQCQYXHDMGP-UHFFFAOYSA-N

ID: 116921

SMILES:
C(CCC(C)C)c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.588

InChIKey:
TZQQJCVBHMRFQV-UHFFFAOYSA-N

ID: 116922

SMILES:
C(CCc1cc(O)c(C2C(=C(C)C)CCC(C)=C2)c(O)c1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.061

InChIKey:
JAWBEJYWLDGDSR-UHFFFAOYSA-N

ID: 116923

SMILES:
O1c2cc(C)cc(O)c2C2OC3(C)C14OC(C)(C)C(C3)C4CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.041

InChIKey:
IYHHAGPEFOQNOC-UHFFFAOYSA-N

ID: 116924

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

ID: 116925

SMILES:
c1(C2C(C(C)=C)CCC(=C)C2)c(O)cc(CCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.034

InChIKey:
KEWOCAMNSFJXOQ-UHFFFAOYSA-N

ID: 116926

SMILES:
C(C=C(C)CC)(CC1(C)C=Cc2c(c(C)cc(OC)c2)O1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.241

InChIKey:
SNXNJFAYHVHJGY-UHFFFAOYSA-N

ID: 116927

SMILES:
CC1(C)C2C(O)CC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 116928

SMILES:
C1=C(C)CC2C(C(O)(C)C)CCC(C)(Oc3cc(CCCCC)cc(c3)O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.42

InChIKey:
UMNVYZXJPTWPRB-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