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Molecule Identifiers
Molecular Properties

ID: 131818

SMILES:
Oc1c(C)c(O)c2c(c1)OC(C)(C)C1C2CC(C(=O)O)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -14.37

InChIKey:
QPKVXYSWGLKZSD-UHFFFAOYSA-N

ID: 131819

SMILES:
C1(CO)(C)Oc2c(c(OC)cc(CC[N+](O)(C)C)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.371

CB1 binding score: -15.396

InChIKey:
MMAPXHJYDORSNN-UHFFFAOYSA-N

ID: 131820

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131821

SMILES:
C1(O)(CCl)C2CC3C(C(C)(C)Oc4c3c(OC)cc(C)c4)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.859

CB1 binding score: -15.373

InChIKey:
WFWBMLCOLLICJK-UHFFFAOYSA-N

ID: 131822

SMILES:
C(C1CCC2(C)CC1c1c(cc(C(CC(CCC)C)C)cc1O)O2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -14.708

InChIKey:
TVAWJQYRGRJBMI-UHFFFAOYSA-N

ID: 131823

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: 131824

SMILES:
N(CC=C(C)C)c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 311.469

CB1 binding score: Not available

InChIKey:
PGTXYQLUWYBCQW-UHFFFAOYSA-N

ID: 131825

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 131826

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131827

SMILES:
CN(C)CCOc1c(C(OC)=O)c2c(cc1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 373.493

CB1 binding score: -14.161

InChIKey:
FDGOSTPRSYERTF-UHFFFAOYSA-N

ID: 131828

SMILES:
O1c2cc(CCCCC)ccc2C2C=C(C)CCC2C1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.427

CB1 binding score: -17.158

InChIKey:
GTKNLTSABWCCLD-UHFFFAOYSA-N

ID: 131829

SMILES:
c12c(O)cc(CCCCC)cc1C1(OC)Oc3c(cc(C)cc3O)C3C(O)(C)CC(C32)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -15.929

InChIKey:
MJWFMSSEDFZTLM-UHFFFAOYSA-N

ID: 131830

SMILES:
C1C(C(C)=C)C(c2cc(CCCC(=C)C)ccc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -16.15

InChIKey:
OMCONHOUUAMMNN-UHFFFAOYSA-N

ID: 131831

SMILES:
C1C2(C(C)C1)C1c3c(cc(C)cc3O)OC(C)(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.101

InChIKey:
IAPMYMJCRAHPHJ-UHFFFAOYSA-N

ID: 131832

SMILES:
C(CC=C(C)C)C1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 131833

SMILES:
Oc1c(O)c2c(cc1CCCC)OC(C)(C)c1ccc(C)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.529

InChIKey:
GOFWRNXFGJNCMC-UHFFFAOYSA-N

ID: 131834

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)C)CCC(OC)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.63

InChIKey:
IAWMYCOOLJMAES-UHFFFAOYSA-N

ID: 131835

SMILES:
O=C(O)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 131836

SMILES:
CC(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 131837

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(OC)c3C2C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.027

InChIKey:
BJDDEBBYIXPOTQ-UHFFFAOYSA-N

ID: 131838

SMILES:
C1=C(C)CCC(C(=CCC=C(C)C)C)C1c1cc(C=O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -13.621

InChIKey:
NJLJYYRPFJAZCU-UHFFFAOYSA-N

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131818–131838 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