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Molecule Identifiers
Molecular Properties

ID: 139861

SMILES:
O1c2c(cc(C)cc2O)C2C(CC=C2C)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.15

InChIKey:
ZWPLHFYLIABADH-UHFFFAOYSA-N

ID: 139862

SMILES:
CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 139863

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C2C1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.481

InChIKey:
RCZIDHQTERYUHW-UHFFFAOYSA-N

ID: 139864

SMILES:
C(CCc1cc(CC=C(C)C)c(C2C=C(C)CCC2C(=C)C)cc1)=CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.666

CB1 binding score: -16.951

InChIKey:
HRLMUBSUDNOJGO-UHFFFAOYSA-N

ID: 139865

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2cc(O)c(CC=C(C)CCC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.801

InChIKey:
MDZUXCPVCRBQEF-UHFFFAOYSA-N

ID: 139866

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 139867

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.238

InChIKey:
BJYXQJGARPKCEI-UHFFFAOYSA-N

ID: 139868

SMILES:
c1cc(O)cc(CCCCC)c1C(OC1CC(=C)CCC1C(C)=C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.957

InChIKey:
ZWKSJJBELJYOSE-UHFFFAOYSA-N

ID: 139869

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C1CC(C)(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.792

InChIKey:
NEKDHXZHRHNMRC-UHFFFAOYSA-N

ID: 139870

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 317.429

CB1 binding score: -15.929

InChIKey:
SGHXCOXOSPIOCX-UHFFFAOYSA-N

ID: 139871

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)O)c(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -19.064

InChIKey:
BWFHYGJGKLAXKO-UHFFFAOYSA-N

ID: 139872

SMILES:
C1C(C)(C)C2C3(c4c(O)cc(CCCCC)cc4OC(C)(C)C3C=C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -12.209

InChIKey:
UWLNQHMEVBUEEM-UHFFFAOYSA-N

ID: 139873

SMILES:
c1c(O)c(C2C=C(CO)CC(O)C2C=C(C)C(CC=C(C)C)O)c(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -13.981

InChIKey:
PVWNVGDNLTYIAI-UHFFFAOYSA-N

ID: 139874

SMILES:
CC(=C)C12C(CC(COC(C)=O)=CC1)c1c(c(O)cc(CCCCC)c1)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.229

InChIKey:
NZLDNSNGXHHBQI-UHFFFAOYSA-N

ID: 139875

SMILES:
C1C2C(=CC(O)C1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.48

InChIKey:
AKMQCZLQJWQTOH-UHFFFAOYSA-N

ID: 139876

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 139877

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 139878

SMILES:
c1(O)cc(CCCCC)cc2c1C1OC(=O)C23CCC(=O)C(C)(C)C3C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -12.872

InChIKey:
JLTFHXYCMOAWNV-UHFFFAOYSA-N

ID: 139879

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCC(O)=O)cc1)(C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.116

InChIKey:
UYSQPGPSXPFVDY-UHFFFAOYSA-N

ID: 139880

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.091

InChIKey:
DENJPBAXNZGHTK-UHFFFAOYSA-N

ID: 139881

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

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139861–139881 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