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Molecule Identifiers
Molecular Properties

ID: 132637

SMILES:
C(c1cc(O)c(C2C=C(CO)CCC2C(C)=C)c(O)c1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -13.522

InChIKey:
QHKJLTJTAAKMQL-UHFFFAOYSA-N

ID: 132638

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CC=C(C)C2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.968

InChIKey:
YUMMIAMBVUHOHK-UHFFFAOYSA-N

ID: 132639

SMILES:
O(c1cc(C)ccc1C1C=C(C)CCC1C(C)=C)c1cc(C=CC(=CC(C)C(O)C(C)=CC)C)oc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.696

CB1 binding score: -14.711

InChIKey:
FZFMBXVPVXJZDW-UHFFFAOYSA-N

ID: 132640

SMILES:
CC1(C)C2(C(=O)CC(C)=CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.57

InChIKey:
PHOGJFMBDSGDME-UHFFFAOYSA-N

ID: 132641

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.895

InChIKey:
HXYRQPYRBHKFKZ-UHFFFAOYSA-N

ID: 132642

SMILES:
COc1c2c(cc(C)c1)OC(CCC=C(CC(CC(C)C)=O)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.542

InChIKey:
QCQNVLKSPLEMOJ-UHFFFAOYSA-N

ID: 132643

SMILES:
c1(O)cc(CCCCC)cc2c1OC1(OCC(C)=CC1)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.807

InChIKey:
VGDREUVNTGJYLK-UHFFFAOYSA-N

ID: 132644

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132645

SMILES:
C(Cc1c(O)c(CC=C(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.081

InChIKey:
XTJDVPNUEUBBRU-UHFFFAOYSA-N

ID: 132646

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132647

SMILES:
c1(C(CO)(C)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.875

InChIKey:
OCWFYBNCZQTLRQ-UHFFFAOYSA-N

ID: 132648

SMILES:
O1c2c(c(OC)cc(CCCCC)c2)C2C(=O)C1(C)CCC2C(CC=CC(C)(O)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -13.493

InChIKey:
CYHGKTDBMCOFGE-UHFFFAOYSA-N

ID: 132649

SMILES:
CCC(CC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.516

InChIKey:
KLISOCHXFUCSOE-UHFFFAOYSA-N

ID: 132650

SMILES:
c1c2c(c(O)cc1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.281

InChIKey:
KZTIITBECKQIPO-UHFFFAOYSA-N

ID: 132651

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132652

SMILES:
CC1=CCC2C(C)(C)Oc3c(c(O)cc(CCCCl)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.833

CB1 binding score: -13.319

InChIKey:
BWWIEHXXEFSMGO-UHFFFAOYSA-N

ID: 132653

SMILES:
Oc1cc(CCc2cc(O)c3c(c2)OC(C)(C)C2CCC(C)=CC23)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.484

CB1 binding score: -16.544

InChIKey:
DIKLILKMKVGCAR-UHFFFAOYSA-N

ID: 132654

SMILES:
C1(=O)CC2C3c4c(O)cc(CCCCC)cc4OC(C)(C)C3C2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.17

InChIKey:
UKHQMIBDLJLZMR-UHFFFAOYSA-N

ID: 132655

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 132656

SMILES:
O=C(C)OC1CC2C(C)(C)Oc3cc(C)c(C)c(O)c3C2(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.03

InChIKey:
KSPBJYIIXSNHJW-UHFFFAOYSA-N

ID: 132657

SMILES:
C12C(C=C(C)C)C3(c4c(c(O)cc(CCCCC)c4)C1=O)C(C(C)C)CC(O)C23C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.871

InChIKey:
RYOSNTHYAZOMKL-UHFFFAOYSA-N

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132637–132657 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