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Molecule Identifiers
Molecular Properties

ID: 39145

SMILES:
C1(O)CCC2(C)Oc3c(c(O)cc(C(C)C(C)O)c3)CC2C1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -14.017

InChIKey:
LLGDUUSWDPWQEV-UHFFFAOYSA-N

ID: 39146

SMILES:
C1(CCC=C(C)CCC(=O)C(C)C)(C)C=Cc2c(cc(O)cc2C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.931

InChIKey:
AQAXDXIYRWLOOH-UHFFFAOYSA-N

ID: 39147

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(O)c3C(=O)OC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -17.317

InChIKey:
RDEIUWNDZAQWKD-UHFFFAOYSA-N

ID: 39148

SMILES:
C12c3c(cc(CCCCC)cc3O1)OC(C)(C)C1CCC(C)(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.747

InChIKey:
JVRUPCUVEGQESQ-UHFFFAOYSA-N

ID: 39149

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 39150

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 39151

SMILES:
C(=C)(C1CCC(=C)CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.279

InChIKey:
KLYPAQJXUITNGB-UHFFFAOYSA-N

ID: 39152

SMILES:
O1CCC2(O)CC(C1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -12.188

InChIKey:
YJEMOFTWALAPTF-UHFFFAOYSA-N

ID: 39153

SMILES:
C12C=C(C)CC(O)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 39154

SMILES:
c1c(O)c(CCC)cc2c1C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: Not available

InChIKey:
WMNIZQGSXXLKGJ-UHFFFAOYSA-N

ID: 39155

SMILES:
C1=C(C)CCC2C1c1c(cccc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.281

InChIKey:
KZTIITBECKQIPO-UHFFFAOYSA-N

ID: 39156

SMILES:
c1(O)c(C2C(=C)C3C(CCC(C(=O)OC)=CCC(C(C)=C)C3)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -15.469

InChIKey:
QBZLHNONEFWXLY-UHFFFAOYSA-N

ID: 39157

SMILES:
C12CC(=C)C(CCC3(C)OC3C=CC(C)=CC1Oc1cc(CCCCC)cc(O)c1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -12.828

InChIKey:
MHAIQVUGSAAMSD-UHFFFAOYSA-N

ID: 39158

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C(=CC=CC(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -14.889

InChIKey:
MEXSRLOPFITJAR-UHFFFAOYSA-N

ID: 39159

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(=C1)C(C)(C)CCCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.262

InChIKey:
OFJBSPPJZGYOPT-UHFFFAOYSA-N

ID: 39160

SMILES:
c1c(CCCCC)cc2c(c1O)-c1cc(C)c(O)cc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.225

InChIKey:
XUERFRQVGLONMR-UHFFFAOYSA-N

ID: 39161

SMILES:
c1c(C(C)C)cc2c3c1OC(C)CC3(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: Not available

InChIKey:
WRPOTQKHPNITCB-UHFFFAOYSA-N

ID: 39162

SMILES:
Cc1ccc(C)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -17.282

InChIKey:
RXHBPLHEPLQOLE-UHFFFAOYSA-N

ID: 39163

SMILES:
Oc1c(C(=O)C(CC)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.453

InChIKey:
NIZQVFOBIVYVBJ-UHFFFAOYSA-N

ID: 39164

SMILES:
CC1(C)C2(CCC(C)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 39165

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O1)CC(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.044

InChIKey:
IQUQLRALJMKPLG-UHFFFAOYSA-N

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39145–39165 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