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Molecule Identifiers
Molecular Properties

ID: 117118

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 117119

SMILES:
c1(CCCCC)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 117120

SMILES:
O1c2c(c(O)c(C(OC)=O)c(CCCCC)c2)CC2C(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.969

InChIKey:
UBMHIFDYCZVFNZ-UHFFFAOYSA-N

ID: 117121

SMILES:
c1c(O)cc(-c2c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCCCC)c2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.702

CB1 binding score: Not available

InChIKey:
WSENRJAJSPDWSQ-UHFFFAOYSA-N

ID: 117122

SMILES:
C(C1CCC(CCC2=CC(O)c3c(O)cc(C)cc3OC2(C)C)(C)CC1=O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -16.598

InChIKey:
NQHQOSMFTJKWKA-UHFFFAOYSA-N

ID: 117123

SMILES:
C1(C)(C)C2CC(O)C(C)=CC2c2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.944

InChIKey:
BNHIPIUQMWYYNY-UHFFFAOYSA-N

ID: 117124

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O1)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.438

InChIKey:
JAIDWEGLHZUGEK-UHFFFAOYSA-N

ID: 117125

SMILES:
c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 117126

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.644

InChIKey:
FGLOLZJHPQSNSP-UHFFFAOYSA-N

ID: 117127

SMILES:
C1C2C(C)(C)Oc3cc(CCC(=O)OC)c(CC=C(C)C)c(OC)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.835

InChIKey:
FRBAVRXAUZEQAW-UHFFFAOYSA-N

ID: 117128

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.43

InChIKey:
OTJDQLKUGXMYHE-UHFFFAOYSA-N

ID: 117129

SMILES:
c12ccccc1C(CCC=C(C)C)(C)Oc1c(c(O)cc(C)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -15.817

InChIKey:
HQFVZHIXXMLICW-UHFFFAOYSA-N

ID: 117130

SMILES:
C1C(C)(C)Oc2cc(CCCCCC)cc(O)c2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.832

InChIKey:
LXEFRHKODVDCHT-UHFFFAOYSA-N

ID: 117131

SMILES:
C(c1c2c(cc(C)c1C)C=CC(C)(C)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -15.716

InChIKey:
NTEKLRNXNRCEPI-UHFFFAOYSA-N

ID: 117132

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC1(C)C2CC(C(C)C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.813

InChIKey:
SOYBRHXGFRKNRI-UHFFFAOYSA-N

ID: 117133

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 117134

SMILES:
C1C2(O)C(C(C)(C)CCC2C(C)(O)C)C(=O)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.679

InChIKey:
KNQFYEJKSQCOTQ-UHFFFAOYSA-N

ID: 117135

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 117136

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.45

InChIKey:
MNJRXMSOZKGACN-UHFFFAOYSA-N

ID: 117137

SMILES:
c1(C)c(OC2(C(O)(C)C)CC=C(C)CC2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -12.439

InChIKey:
ZYYLFNSKBQPNHT-UHFFFAOYSA-N

ID: 117138

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

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117118–117138 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