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Molecule Identifiers
Molecular Properties

ID: 62875

SMILES:
C(CCCCCCCCC)CCCCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(O)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.793

CB1 binding score: -14.325

InChIKey:
IKYUJYSLWYMVRL-UHFFFAOYSA-N

ID: 62876

SMILES:
OCCc1c(C)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.021

InChIKey:
JWWRZXPXOAGZOD-UHFFFAOYSA-N

ID: 62877

SMILES:
C1(C(C)C)=Cc2ccc(CCCCC)cc2OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -14.964

InChIKey:
XMRBAAQMVIYIOV-UHFFFAOYSA-N

ID: 62878

SMILES:
C1C2(Oc3c(c(OC)cc(CCCCC)c3)C2O)C(C)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.082

InChIKey:
ZWASJBCFTHGGGS-UHFFFAOYSA-N

ID: 62879

SMILES:
C1C(CO)=CCC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.608

InChIKey:
HUDBWDLEGNYKJY-UHFFFAOYSA-N

ID: 62880

SMILES:
C12C(C)(Oc3c(cc(CCCCC)cc3O)C1)C1OC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.731

InChIKey:
JVPHVFHCOYRHEQ-UHFFFAOYSA-N

ID: 62881

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 62882

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)C=CC1C(C)(O)C(C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -12.657

InChIKey:
IDSWCRTUGSTBGC-UHFFFAOYSA-N

ID: 62883

SMILES:
CC1(C)Oc2cc(O)cc(C)c2CC2CC(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.846

InChIKey:
HPOFDAAGIWAKCF-UHFFFAOYSA-N

ID: 62884

SMILES:
CC(C)C1(O)CCC2(C)Oc3c(c(O)cc(CCCC)c3)C=C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.856

InChIKey:
SZUMXCXRMVTBQB-UHFFFAOYSA-N

ID: 62885

SMILES:
C(C)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.95

InChIKey:
YCGKZROQHXAHBE-UHFFFAOYSA-N

ID: 62886

SMILES:
C1CCC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.844

InChIKey:
PWPQLXXOFXROSJ-UHFFFAOYSA-N

ID: 62887

SMILES:
O1C23C(O)C(O)C(C)=CC2c2c(cc(CCCCC)cc2O)OC1C31OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -15.032

InChIKey:
UQWKUKNIRGGCJV-UHFFFAOYSA-N

ID: 62888

SMILES:
c1(CCc2cc(CC=C(C)CCC=C(C)C)c(O)c(C(OC)=O)c2CCCCC)cc(CC=C(C)C)c(O)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.791

CB1 binding score: -15.706

InChIKey:
JVFQTGLLYZIQDU-UHFFFAOYSA-N

ID: 62889

SMILES:
C1CC(C(=O)C)C2(Oc3cc(CCCCC)c(O)c(O)c31)C(C)(C)CCCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.431

InChIKey:
JNAGDLXJGJAVQI-UHFFFAOYSA-N

ID: 62890

SMILES:
Oc1c(C(C(C)CC)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.563

InChIKey:
KFHWFLUEGBMEIL-UHFFFAOYSA-N

ID: 62891

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(OC(C)=O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 62892

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.979

InChIKey:
RPIAMKIGKMZKPE-UHFFFAOYSA-N

ID: 62893

SMILES:
c1(OC)cc(CCCCC)cc2c1-c1c(CC=C(C)CCC=C(C)C)c(C)ccc1C(O)C(O)C2OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.737

CB1 binding score: Not available

InChIKey:
XGGNXPQWWROJKB-UHFFFAOYSA-N

ID: 62894

SMILES:
c1(CCCCCC)cc(OC2CCCCO2)c(O)cc1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.34

InChIKey:
SXQBLDXEXSAPBH-UHFFFAOYSA-N

ID: 62895

SMILES:
c1(O)c2c(cc(CCCCC)c1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.71

InChIKey:
QQTIDTRRWYIZRE-UHFFFAOYSA-N

2992299329942995299629972998
62875–62895 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