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Molecule Identifiers
Molecular Properties

ID: 67894

SMILES:
C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.989

InChIKey:
LILQJTGULSFPRP-UHFFFAOYSA-N

ID: 67895

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.32

InChIKey:
SPKHEVJZLONRSY-UHFFFAOYSA-N

ID: 67896

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(COCC)C(OC)C1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.671

InChIKey:
JFKUZGUYBHLYBY-UHFFFAOYSA-N

ID: 67897

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 67898

SMILES:
O(C)c1cc(CCCCC)cc2c1C1C(CC=C(C)C2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.507

InChIKey:
MOJSPSRAGAHKDM-UHFFFAOYSA-N

ID: 67899

SMILES:
C1=C(C)CCC(O)C(C)(C)Oc2cc(CCCCC)ccc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.317

InChIKey:
KQAQYGZCRRUYJB-UHFFFAOYSA-N

ID: 67900

SMILES:
c1c(CCC(=O)O)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.16

InChIKey:
CVKOASOLDJIIPJ-UHFFFAOYSA-N

ID: 67901

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 67902

SMILES:
c1(C(CCC(=O)C)C2(C)CCC(O)C(C)(C)O2)cc(CC(O)C(O)=O)cc(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.491

CB1 binding score: -16.145

InChIKey:
LCDPQKIDMBMVJB-UHFFFAOYSA-N

ID: 67903

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1CC(C=CC=C(C)C1CC=C(C)C(O)C1)(C)CCC2CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.809

CB1 binding score: -14.121

InChIKey:
XKBXMJGTJDVRBE-UHFFFAOYSA-N

ID: 67904

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 67905

SMILES:
CC1(C)OC2(C)C3C(C(C)CC3)CC1c1c(O)cc(C)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.218

InChIKey:
PXEUDAMHGJPOPY-UHFFFAOYSA-N

ID: 67906

SMILES:
C(CC1OC(C)(C)C2OC(C1=O)CC2)CC(CC(=O)CC(=CCc1c(OC)c(C)cc(OC)c1)C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.675

CB1 binding score: -15.84

InChIKey:
NETAGIRWIFVDRV-UHFFFAOYSA-N

ID: 67907

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2C(=O)OC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.527

InChIKey:
FXXUJBVLXINXKW-UHFFFAOYSA-N

ID: 67908

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C(O)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.364

CB1 binding score: -18.858

InChIKey:
FCEJYUOQVZGCIK-UHFFFAOYSA-N

ID: 67909

SMILES:
C(CCC(=CCc1c(O)cc(O)cc1CCCCC)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.891

InChIKey:
JFJAMLJGMDJCRJ-UHFFFAOYSA-N

ID: 67910

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 67911

SMILES:
c1(CC2C(=C)C(O)C(C)(C)CC2)c(O)cc(CCCCC)c(C(=O)OC(C)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -14.611

InChIKey:
PAIJRNSKMQWCJA-UHFFFAOYSA-N

ID: 67912

SMILES:
Cc1c(C(OC)OC)c(=O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.951

InChIKey:
LGXAOVPILCMGLO-UHFFFAOYSA-N

ID: 67913

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C)(O)CCC(C(=C)CCC=C(C)C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.486

InChIKey:
SEAUXUODMAQIFE-UHFFFAOYSA-N

ID: 67914

SMILES:
C(c1cc(C(=O)NCCc2ccc(O)cc2)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 465.634

CB1 binding score: -11.773

InChIKey:
BFUHLLAHRWBMBX-UHFFFAOYSA-N

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67894–67914 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