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Molecule Identifiers
Molecular Properties

ID: 132952

SMILES:
C(CCC=C(C)C)(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 132953

SMILES:
C(C1C(O)c2c(O)cc(CCCCC)cc2O1)C(CC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -14.854

InChIKey:
JURYKTPBCUWVBU-UHFFFAOYSA-N

ID: 132954

SMILES:
C1(=O)C2(C)C(c3c(O)cc(CCCCC)cc3O2)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.123

InChIKey:
XHUGZWYZYMMCOB-UHFFFAOYSA-N

ID: 132955

SMILES:
C1(=C(C)C)CC2C(C)(Oc3c(CCCCC)cc4cc(O)c(CC=C(C)C)c(O)c4c32)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -12.274

InChIKey:
FWUSXARIVSYJDF-UHFFFAOYSA-N

ID: 132956

SMILES:
C(C)(=CC(=O)CC(C1C(c2c(OC)cc(CCCCC)cc2O)O1)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -12.72

InChIKey:
XPPWEQZSDFTECD-UHFFFAOYSA-N

ID: 132957

SMILES:
C12C=C(C(C)C)CCC1(C)Oc1c2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.982

InChIKey:
LLJLKFGCUWOEGS-UHFFFAOYSA-N

ID: 132958

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 132959

SMILES:
Ic1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.257

CB1 binding score: -17.479

InChIKey:
XWAVMKAATKJYPR-UHFFFAOYSA-N

ID: 132960

SMILES:
C1C(C)(c2cc(OC)c(C)cc2O)C(CC(C)C)c2ccc(CCCCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.502

InChIKey:
OMZWWGOOLMUOLA-UHFFFAOYSA-N

ID: 132961

SMILES:
Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 132962

SMILES:
c1(O)c(CC=C(C)CCC=C(C)C(=O)O)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.723

InChIKey:
WJFILTHPTPTQEA-UHFFFAOYSA-N

ID: 132963

SMILES:
C(C)(C)=CCC12C(C(CC(C)C)=O)(c3cc(CCCCC)cc(O)c3C1)C(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.502

InChIKey:
PDCYYWGHTORPGF-UHFFFAOYSA-N

ID: 132964

SMILES:
C(CCCCCCC(=O)OCC(C1C2C(CC(C)=CC2)c2c(cc(CCCCC)cc2OC)O1)O)CCCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 584.882

CB1 binding score: -13.951

InChIKey:
GHFGZHIMJVSJJC-UHFFFAOYSA-N

ID: 132965

SMILES:
C1C(C2(C)OC2CC=C(C)C)C(C)(COC)C(C2=CC(=O)OC2)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.633

InChIKey:
DIVQPSHVJIGTIY-UHFFFAOYSA-N

ID: 132966

SMILES:
O1C(=O)C2Cc3c(cc(CCCCC)cc3O)OC(C)(C)C2C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -13.522

InChIKey:
HDLOXGAECGFQFF-UHFFFAOYSA-N

ID: 132967

SMILES:
O1c2c(c(O)cc(CCCCCCCCCC)c2)C2(C=O)C1(C)C(C)(C)C(CCO)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.656

CB1 binding score: -13.65

InChIKey:
QCULWWUHANPXLP-UHFFFAOYSA-N

ID: 132968

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 132969

SMILES:
C(c1cc(O)c(O)c(CC=C(CCC=C(C)C)C)c1)CCC(O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.401

InChIKey:
QGEXLOFYPQAZRD-UHFFFAOYSA-N

ID: 132970

SMILES:
Oc1cc(CCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 132971

SMILES:
O(C)C(C(C)=O)C(c1cc(O)c2c(c1)OC(C)(C)C1C(O2)C=C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.184

InChIKey:
UOLMLLWRXLXWHW-UHFFFAOYSA-N

ID: 132972

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)CCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -14.605

InChIKey:
SHMFQMMPTLWPFZ-UHFFFAOYSA-N

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132952–132972 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