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Molecule Identifiers
Molecular Properties

ID: 37927

SMILES:
c1(C)c(O)c(OC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.897

InChIKey:
ZVQPEMGDVJIMHE-UHFFFAOYSA-N

ID: 37928

SMILES:
c1(O)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 37929

SMILES:
C12C(C)CCC1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.748

InChIKey:
KVIUZCORYUKBDQ-UHFFFAOYSA-N

ID: 37930

SMILES:
C1CC(C)(C)C2(C=CC(C)=C)C(=C1C)c1c(O)cc(CC)cc1O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.116

InChIKey:
LTHYHQBJDFSJRK-UHFFFAOYSA-N

ID: 37931

SMILES:
c1(C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2)c(O)c(CC=C(C)C)c(O)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -14.603

InChIKey:
WOSFICHKDPKDGV-UHFFFAOYSA-N

ID: 37932

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C(O)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.284

InChIKey:
LLYGELAEICCTMB-UHFFFAOYSA-N

ID: 37933

SMILES:
CC(Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.676

InChIKey:
VLMIZVPEEKKRCP-UHFFFAOYSA-N

ID: 37934

SMILES:
C(=C)(C)C1C(c2c(O)cc(CCCCC)cc2O)C(OC(C)=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.301

InChIKey:
NRYXLLBVGMLREI-UHFFFAOYSA-N

ID: 37935

SMILES:
c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 37936

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(CCCc1cocc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -15.131

InChIKey:
KZUKCYLFUFOLFY-UHFFFAOYSA-N

ID: 37937

SMILES:
C1=CCC(C)(C)C2(O)C1Oc1c(cc(CCCCC)cc1O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.916

InChIKey:
HHKLHNIJAJVMNI-UHFFFAOYSA-N

ID: 37938

SMILES:
c12c(O)c(C(=O)C(C)C)c(O)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17

InChIKey:
WQYRNJBNQPTOAV-UHFFFAOYSA-N

ID: 37939

SMILES:
C1(C(C)C)CCC(O)(C)C2C1c1c(cc(CCCCCO)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.627

InChIKey:
MHNAJWCEBDJTJN-UHFFFAOYSA-N

ID: 37940

SMILES:
C1CC(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 37941

SMILES:
CCCCCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.18

InChIKey:
YIGLMNZSUQWKBY-UHFFFAOYSA-N

ID: 37942

SMILES:
C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)c(C(=O)OC)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -19.567

InChIKey:
RSOBBJCWWQRAAM-UHFFFAOYSA-N

ID: 37943

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.844

InChIKey:
DHOXLQJAMAKRMH-UHFFFAOYSA-N

ID: 37944

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)CCC=C(C)C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -19.601

InChIKey:
JXEWSPILIYHMCP-UHFFFAOYSA-N

ID: 37945

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2(C=C(C)C)C(O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.252

InChIKey:
CIXMXSMWJKSETC-UHFFFAOYSA-N

ID: 37946

SMILES:
C1(O)C(OC(Cc2ccc(O)cc2)=O)C(O)C(CO)OC1Oc1cc(CC=C(C)CCC=C(C)C)c(O)c(CC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 610.744

CB1 binding score: -14.831

InChIKey:
BIONQQDFKVPPTP-UHFFFAOYSA-N

ID: 37947

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CC)cc1O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -13.66

InChIKey:
UAGJINKMTFJZRV-UHFFFAOYSA-N

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37927–37947 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