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Molecule Identifiers
Molecular Properties

ID: 138769

SMILES:
c1(OC)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.273

InChIKey:
QQKRWAQYJVGZFH-UHFFFAOYSA-N

ID: 138770

SMILES:
O(CC1=CC2c3c(O)cc(CCCCC)cc3OC2(C)CCC1C(=C)C)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -13.736

InChIKey:
SLOLCUHZPNPFGU-UHFFFAOYSA-N

ID: 138771

SMILES:
OC1Oc2cc(CCC)cc(O)c2C2C(C(C)C)CCC12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.63

InChIKey:
AIPCRLWIRJUETN-UHFFFAOYSA-N

ID: 138772

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC3(CCc4c(c(O)ccc4O)CCC(C)=CC12)OC3=O)CCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 632.882

CB1 binding score: -15.097

InChIKey:
FCRXKMFMKISQCR-UHFFFAOYSA-N

ID: 138773

SMILES:
CC(C)=CCCC(=CCc1c(OC)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 138774

SMILES:
c1c(CC=C(C)CCC=C(C)C)c(O)c(C=O)cc1CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.28

InChIKey:
OLRYZRRIBVOKCI-UHFFFAOYSA-N

ID: 138775

SMILES:
C1CCC(C)(C)C(CCC2(C)C=Cc3c(OC)cc(CCCCC)cc3O2)C1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -14.236

InChIKey:
IJUNGHLTSQXBSL-UHFFFAOYSA-N

ID: 138776

SMILES:
C(C=C(C)C)(=O)CC(=CCc1c(OC(C)=O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.544

InChIKey:
RQUKMJFTPGBWMK-UHFFFAOYSA-N

ID: 138777

SMILES:
C(c1cc(O)c2c(c1)OC(C(C)(C)O)CCC2C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.655

InChIKey:
ZWQASZFLZUBAJV-UHFFFAOYSA-N

ID: 138778

SMILES:
C123C(c4ccccc4)c4c(cc(CCCC)c(O)c41)OC2C(C)(C)C1(CC3)C(CCCO)C(=C(C=O)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.733

CB1 binding score: -18.144

InChIKey:
ATPNNDOMBYTKCP-UHFFFAOYSA-N

ID: 138779

SMILES:
c12cc(CCCCC)cc(O)c1C1(C)C(C)(C3CC(C)=CCC3(C)CC1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -17.796

InChIKey:
DYHMMLTVQGLGCO-UHFFFAOYSA-N

ID: 138780

SMILES:
Cc1c(Cl)c(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.834

CB1 binding score: -13.1

InChIKey:
WVZKXEMGTCPYBN-UHFFFAOYSA-N

ID: 138781

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 138782

SMILES:
C1(=C(C)C)NC(=O)C(C2(C)CC3C(C2O)C(OC)c2cc(O)c(C)cc2OC3(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 443.54

CB1 binding score: -15.67

InChIKey:
AIYVWYJTIWBANR-UHFFFAOYSA-N

ID: 138783

SMILES:
C(CC=C(C)C)C1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 138784

SMILES:
COc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(CO)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -11.953

InChIKey:
JARJGBHTRVTTEO-UHFFFAOYSA-N

ID: 138785

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 138786

SMILES:
c1(CC(C)C)cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.254

InChIKey:
OUSVNSVSMXSSCG-UHFFFAOYSA-N

ID: 138787

SMILES:
C(C1C2CC(O)C(C)=CC2c2c(O)cc(CCCCC)cc2O1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.343

InChIKey:
GDNPCSGUSMXELQ-UHFFFAOYSA-N

ID: 138788

SMILES:
C1C=C(C)CC(c2c(OC)cc(CCCCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.751

InChIKey:
OKEADXNYZUFHJQ-UHFFFAOYSA-N

ID: 138789

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.476

InChIKey:
HXFAXZSUGKYTOF-UHFFFAOYSA-N

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138769–138789 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