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Molecule Identifiers
Molecular Properties

ID: 94795

SMILES:
C(c1c2c(c(O)c(CC=C(CCC=C(C)C)C)c1)OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -16.581

InChIKey:
HAIUKTPJLSMGMI-UHFFFAOYSA-N

ID: 94796

SMILES:
c1(CO)cc(OC)c(C2C(C(C)=C)CC(=O)C(C)=C2)c(O)c1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.225

InChIKey:
OXGQZFWHQWDMMZ-UHFFFAOYSA-N

ID: 94797

SMILES:
CC1(C)Oc2c(cc(Br)cc2)-c2cc(CCCCC)cc(O)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 375.306

CB1 binding score: -11.602

InChIKey:
WMNHZEKPBXKRHW-UHFFFAOYSA-N

ID: 94798

SMILES:
C(C=C(C)C(O)CC=C(C)C)CC(C)=CCc1c2c(cc(O)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -12.687

InChIKey:
GDHYEGICKOPKFZ-UHFFFAOYSA-N

ID: 94799

SMILES:
O(C1C(C)=CC2C(C(C)(C)Oc3c(C(C)=C)ccc(O)c32)CC1)c1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.523

CB1 binding score: -14.249

InChIKey:
ARIPKDDVFZUCQB-UHFFFAOYSA-N

ID: 94800

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.77

InChIKey:
IUIUEVJACWLHQQ-UHFFFAOYSA-N

ID: 94801

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 94802

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.349

InChIKey:
PVWKYDHSQZSCHQ-UHFFFAOYSA-N

ID: 94803

SMILES:
CC1C(c2c(O)cc(CCCCC)cc2O)OC2C1CCC(=C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.207

InChIKey:
CGBLFRXBRBPYNT-UHFFFAOYSA-N

ID: 94804

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(c1cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1)OC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.721

CB1 binding score: -15.631

InChIKey:
CEMSCGMZCDGPPM-UHFFFAOYSA-N

ID: 94805

SMILES:
O1c2cc(CCCCC)cc(O)c2C2OC3(C)CCC4C(C)(CCC(C(C)(O)C)C4C13)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -15.178

InChIKey:
GHQHIQFSFWQNBO-UHFFFAOYSA-N

ID: 94806

SMILES:
C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.748

InChIKey:
KEBLMJFKEVAPFE-UHFFFAOYSA-N

ID: 94807

SMILES:
c12cc(CCCCC)ccc1C(=O)C(C1C(C(C)(OCC)C)C(O)CC1(C)O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: Not available

InChIKey:
MURLJJQCFACVNR-UHFFFAOYSA-N

ID: 94808

SMILES:
CC(=CCc1c(O)ccc2c1OC(C)(C)C1CCC(C)C(O)C21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.077

InChIKey:
IGMXBQWZBOOGAY-UHFFFAOYSA-N

ID: 94809

SMILES:
c1(O)cc(C=O)cc2c1C1C(C(C)(C)O2)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.07

InChIKey:
BOVVZFAVSJHJQS-UHFFFAOYSA-N

ID: 94810

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1CC(CO)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.585

InChIKey:
NZUUGMLOXJAJLR-UHFFFAOYSA-N

ID: 94811

SMILES:
C(C)Cc1cc(O)cc2c1OC(C)(C)C1C2C=C(C(=O)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.346

InChIKey:
ACMZKJKTSXLYFJ-UHFFFAOYSA-N

ID: 94812

SMILES:
C1C(C)=CC(c2c(OC)ccc(OC)c2O)C(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.625

InChIKey:
LHCSHORDRBDUGZ-UHFFFAOYSA-N

ID: 94813

SMILES:
C1CC(Cl)C(C)(C)Oc2cc(CCCCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.892

CB1 binding score: -14.379

InChIKey:
DTWWLZUMANVNNV-UHFFFAOYSA-N

ID: 94814

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(COC(C)=O)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 94815

SMILES:
c1(CCC)cc(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

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94795–94815 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