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Molecule Identifiers
Molecular Properties

ID: 61762

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 61763

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)c(O)c2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.388

InChIKey:
XRSKTHYTMPGBSV-UHFFFAOYSA-N

ID: 61764

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.655

InChIKey:
RQXYOTLEEDTWOM-UHFFFAOYSA-N

ID: 61765

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.792

InChIKey:
IEOYHNWUNCMPAY-UHFFFAOYSA-N

ID: 61766

SMILES:
C(CCC)Cc1ccc2c(c1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.617

InChIKey:
HBEWVKJZXYEZIN-UHFFFAOYSA-N

ID: 61767

SMILES:
C1(C)=CC(c2c(CCCCC)cc(O)c(CC=C(C)C)c2)OC(C)(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.641

InChIKey:
XQOWZSLUXCTVNZ-UHFFFAOYSA-N

ID: 61768

SMILES:
CCCCCCc1cc(O)c(C2C=C(C)CCC2C(C)(O)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.929

InChIKey:
ZTPFXJOCCRITQD-UHFFFAOYSA-N

ID: 61769

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 61770

SMILES:
C1(C2=CC(=O)OC2)C(C)(CCC(=O)OC)C2C(c3c(cc(CCCCC)cc3O)O1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -14.676

InChIKey:
PAPHDZRSICMQBJ-UHFFFAOYSA-N

ID: 61771

SMILES:
C(CCc1c(CCCCC)cc2c(c1O)C1CC(C(C)C)OC(C)(C1)O2)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.974

InChIKey:
RJSSDHUJXXZUGK-UHFFFAOYSA-N

ID: 61772

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1CC(C(C)C)C3Oc4c(O)c(C)cc(c41)C(C)(C3)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -11.881

InChIKey:
HZDDQDCVYYMQCM-UHFFFAOYSA-N

ID: 61773

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 61774

SMILES:
C=C1CC2C(C(O)C1)C(C)(C)Oc1c2cc(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.285

InChIKey:
BERFDOVFWWZCSB-UHFFFAOYSA-N

ID: 61775

SMILES:
CC(C)C(O)CC(c1cc2c(c(O)c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.46

InChIKey:
IKGTWEJTZXKRPI-UHFFFAOYSA-N

ID: 61776

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C=O)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 61777

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CC=C(C)CCC=C(C)C)(C(=O)C(C)=C(OC)C1=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -16.029

InChIKey:
MGNOYCNBCOKYHK-UHFFFAOYSA-N

ID: 61778

SMILES:
Oc1c(CCCCC)c(Cl)c2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.913

CB1 binding score: -17.459

InChIKey:
QUWDDBGBMIMZJK-UHFFFAOYSA-N

ID: 61779

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 61780

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.892

InChIKey:
YCSIDAUWCFLSQK-UHFFFAOYSA-N

ID: 61781

SMILES:
C(CCCC(C)C)(C)c1cc2c(c(O)c1)C1C(CC2)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(OCC=C(CCC=C(C)C)C)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 658.964

CB1 binding score: -16.38

InChIKey:
LBJRZOCFRQVNEX-UHFFFAOYSA-N

ID: 61782

SMILES:
c1(C2C(C(C)=C)C(c3c(O)cc(CCCC)cc3O)CC(C)=C2)c(O)cc(O)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -12.764

InChIKey:
BSXDSAVDPOKKFZ-UHFFFAOYSA-N

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61762–61782 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