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Molecule Identifiers
Molecular Properties

ID: 102838

SMILES:
c1(C(C)(C)O)cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(=C)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.655

InChIKey:
JMVXYYQBOAGDGR-UHFFFAOYSA-N

ID: 102839

SMILES:
c1(CC2C(C(C)=C)CCC2(C)O)c(O)cc(CCC)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.536

InChIKey:
NUOBWLOFXNOHSW-UHFFFAOYSA-N

ID: 102840

SMILES:
C(CC)CCc1c(O)cc(C2C(C(=C)C)CC=C(C)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.458

InChIKey:
QIRGOYAXDFPFKL-UHFFFAOYSA-N

ID: 102841

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102842

SMILES:
c12c(c(O)c(OC)cc1C)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.334

InChIKey:
YITDPTLZRGXSAV-UHFFFAOYSA-N

ID: 102843

SMILES:
C1(OC(=O)C)CC2(C)Oc3cc(C)cc(O)c3CC2=C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -12.318

InChIKey:
DCKHTRREZNBJBI-UHFFFAOYSA-N

ID: 102844

SMILES:
CCCc1cc(O)cc(CC2C=C(C)C(O)CC2C(C)CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -14.319

InChIKey:
NXABSLKLXPTJQF-UHFFFAOYSA-N

ID: 102845

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.696

InChIKey:
HYNYRWBHLSVRRM-UHFFFAOYSA-N

ID: 102846

SMILES:
C(C)(C1=CC(=O)C(C)=CC1c1c(O)cc(CCC)cc1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.126

InChIKey:
XJSOPFUECQGOGR-UHFFFAOYSA-N

ID: 102847

SMILES:
C1(C)(C)C2CC(O)C(C)=CC2c2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.586

InChIKey:
RJJJYKQPIFBXPT-UHFFFAOYSA-N

ID: 102848

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 102849

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 102850

SMILES:
O1c2c(c(O)c(C(O)=O)c(CCCCC)c2)C2C=C(CCC(C)=O)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -12.724

InChIKey:
MVOMECKXBBQMNU-UHFFFAOYSA-N

ID: 102851

SMILES:
Oc1c(C2C(C(=C)C)C(OC(=O)C(C)=CC)CC(C)=C2)c(OC)cc(CCNC(=O)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 441.568

CB1 binding score: -14.428

InChIKey:
GGGKBQXVPPPKLD-UHFFFAOYSA-N

ID: 102852

SMILES:
c1(C2(C)OC(C)(C)CCC2)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.008

InChIKey:
YZGVEPKRHJNYQZ-UHFFFAOYSA-N

ID: 102853

SMILES:
c1(C2(C(C)(C)O)C=CC(=C)CC2)c(O)cc(CCCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.8

InChIKey:
DDKICXYDHLNTHV-UHFFFAOYSA-N

ID: 102854

SMILES:
C1(=O)C2(C)C(=O)C3(CC4OC(C23C)C4)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -13.311

InChIKey:
OJXFVFKIVLOJTI-UHFFFAOYSA-N

ID: 102855

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 102856

SMILES:
C1C(CO)(CCC=C(C)C)CCc2c(O)cc(C(C)(C)C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.628

InChIKey:
MVIUAWQYVSRQBZ-UHFFFAOYSA-N

ID: 102857

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.263

InChIKey:
PFVXVFHRRRHRTH-UHFFFAOYSA-N

ID: 102858

SMILES:
C1CC(c2c(O)cc(CCCCCC)cc2)(CC=C(C)C)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.617

InChIKey:
VVWUGJUNGZKKQT-UHFFFAOYSA-N

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102838–102858 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