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Molecule Identifiers
Molecular Properties

ID: 56827

SMILES:
c12c(cc(C)c3c1C=CC(C)(C)O3)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -12.159

InChIKey:
IXVHIWVSWWUFCF-UHFFFAOYSA-N

ID: 56828

SMILES:
CC1=CC(=CC(=C)CC(CC(=CCc2cc(O)cc(C)c2OC)C)O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -16.331

InChIKey:
YAUMXZWVOGSHMR-UHFFFAOYSA-N

ID: 56829

SMILES:
c1(CCCC)cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.779

InChIKey:
VXMYRUJLTHSFQU-UHFFFAOYSA-N

ID: 56830

SMILES:
C(C)(C)C(=O)c1c2c(c(O)c(O)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: Not available

InChIKey:
GCYSHBJLSKBDLI-UHFFFAOYSA-N

ID: 56831

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C=C(C)CC1)C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 328.452

CB1 binding score: -13.399

InChIKey:
AXCDRFTWIPRBRC-UHFFFAOYSA-N

ID: 56832

SMILES:
C=C(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 56833

SMILES:
c1(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCc2ccc(O)cc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 56834

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 56835

SMILES:
c12cc(CCCCC)cc(O)c1OC1(CC2CC(CCC=C(C)C)=C)CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -6.021

InChIKey:
URLMGFKIFXCMSP-UHFFFAOYSA-N

ID: 56836

SMILES:
O=C1CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -19.156

InChIKey:
WDPFLDQDNFLJCV-UHFFFAOYSA-N

ID: 56837

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 56838

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 56839

SMILES:
CC1C2CC(O)(C(C)(C)Oc3cc(C)cc(O)c32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.894

InChIKey:
SGQBQNVKTNKSJL-UHFFFAOYSA-N

ID: 56840

SMILES:
OCC1=CC2c3c(cc(CCCCCCO)cc3O)OC(C2(C)C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.507

InChIKey:
BIZGHJBLTUXKQY-UHFFFAOYSA-N

ID: 56841

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 56842

SMILES:
c1(CCCCC)ccc(OC)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -18.084

InChIKey:
GYWDFTHNGINNKN-UHFFFAOYSA-N

ID: 56843

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 56844

SMILES:
C1C(CCc2ccc(O)cc2)(COc2ccc(CCCCC)cc2)C(C)(C)OC(C)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -16.559

InChIKey:
TYXVPHDDXYTVST-UHFFFAOYSA-N

ID: 56845

SMILES:
C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 56846

SMILES:
C12C(C)(C)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.624

InChIKey:
SYVZDGZRDPAAIW-UHFFFAOYSA-N

ID: 56847

SMILES:
C(=CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.783

InChIKey:
KLHMMUUOWNJWQU-UHFFFAOYSA-N

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56827–56847 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