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Molecule Identifiers
Molecular Properties

ID: 101683

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C=O)=CC=C12)CC(O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.929

InChIKey:
CUJYJCFFRUIUKR-UHFFFAOYSA-N

ID: 101684

SMILES:
C1(C)c2c(O)cc(CCCCC)cc2C(C=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -17.105

InChIKey:
RZMCFBABEMRKLT-UHFFFAOYSA-N

ID: 101685

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 101686

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1C(=C)CCC1C(C)(C)CC(O)CC1=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.685

InChIKey:
FNOGEFFYHTUREJ-UHFFFAOYSA-N

ID: 101687

SMILES:
OCc1c(OC)cc2c(c1)C1C(O)(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -11.262

InChIKey:
XIAWOQDXGKEMNF-UHFFFAOYSA-N

ID: 101688

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.421

InChIKey:
BSLYIPABQGCVSX-UHFFFAOYSA-N

ID: 101689

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.873

InChIKey:
LQYKMWDWLZBNNI-UHFFFAOYSA-N

ID: 101690

SMILES:
C(Cl)C(C)(C12Oc3c(c(OC)cc(CCCCC)c3)C1)cccc2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.898

CB1 binding score: -14.116

InChIKey:
QOALVKPARWVSEQ-UHFFFAOYSA-N

ID: 101691

SMILES:
C(CCc1c(OC2OCC(O)C(O)C2)cc2c(c1)OC(C)(C)C1CCC(C)(O)C=C12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.557

CB1 binding score: -14.652

InChIKey:
CPBUOXMRDXAANN-UHFFFAOYSA-N

ID: 101692

SMILES:
CC(=O)OCc1c(O)cc(CCCCC)c(CC2C(C)(C)C3CCCC32CC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -18.979

InChIKey:
SICNHUKODDYGDM-UHFFFAOYSA-N

ID: 101693

SMILES:
C(O)(=O)C12CCC(C)=CC1c1c(cc(C)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.289

CB1 binding score: -17.307

InChIKey:
LMFITIVNWOQJOP-UHFFFAOYSA-N

ID: 101694

SMILES:
OC(=O)c1cc(CCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.01

InChIKey:
MZKGTSZXSKVPMT-UHFFFAOYSA-N

ID: 101695

SMILES:
CC12Oc3c(c(O)cc(C)c3)C1CC(C(=C)C)C2C=C(C(=O)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -14.671

InChIKey:
WMLQWULLRMDARK-UHFFFAOYSA-N

ID: 101696

SMILES:
O=C(C)Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 101697

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 101698

SMILES:
c12c(cc(O)cc1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 101699

SMILES:
COc1c(C)c2c3c(c(OC)cc2C)C(C1)C(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.814

InChIKey:
SWESYFQUNOZCTL-UHFFFAOYSA-N

ID: 101700

SMILES:
c12c(O)c(C)ccc1OC(C)(C)C1CCC(C=O)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -12.47

InChIKey:
MAMCJKPGKUIUAA-UHFFFAOYSA-N

ID: 101701

SMILES:
C12(C3C(C(C)C)(CC1)O3)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.417

InChIKey:
UTWFYFIHPVCVMA-UHFFFAOYSA-N

ID: 101702

SMILES:
C(CC1(C)OC1Cc1c(O)cc(CCCCC)cc1O)=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.934

InChIKey:
GKJJICIDHFWEGN-UHFFFAOYSA-N

ID: 101703

SMILES:
C12CC(C)=CCC1C(C)(C)Oc1cc(OC)cc(CCCCC)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -13.368

InChIKey:
OLMAARNSHOXMRP-UHFFFAOYSA-N

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101683–101703 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