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Molecule Identifiers
Molecular Properties

ID: 140491

SMILES:
CC(=CCC=C(C)C)C1(O)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.205

InChIKey:
JMGOYNGOVFNEGB-UHFFFAOYSA-N

ID: 140492

SMILES:
C1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.585

InChIKey:
OZXTVUOCXANKCN-UHFFFAOYSA-N

ID: 140493

SMILES:
C1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C(C)(C)OO)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -12.168

InChIKey:
UQTWVVVJCNDQEL-UHFFFAOYSA-N

ID: 140494

SMILES:
CCc1cc(O)c(C2C(C(C)(O)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.272

InChIKey:
IBBUPAJATJVVHX-UHFFFAOYSA-N

ID: 140495

SMILES:
CC1(C)C2CC=C(CO)CC2Oc2cc(CCCCC)ccc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.583

InChIKey:
SZXVVOURUVVVCG-UHFFFAOYSA-N

ID: 140496

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.989

InChIKey:
PYLAQUTZININAO-UHFFFAOYSA-N

ID: 140497

SMILES:
C1C(C)(O)CCC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.715

InChIKey:
POGJSPFSYBEGJI-UHFFFAOYSA-N

ID: 140498

SMILES:
C(CO)CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.454

InChIKey:
VQILAGLBEWEGKK-UHFFFAOYSA-N

ID: 140499

SMILES:
C12C(C)(C)Oc3cc(C)c(Br)cc3C1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 321.258

CB1 binding score: -18.671

InChIKey:
RPVWNWGEPFZWQS-UHFFFAOYSA-N

ID: 140500

SMILES:
c1(CCC(O)=O)cc(O)c2c(c1)OC(C)(C)C1C2CC=C(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -14.998

InChIKey:
XMAWSEFRZSAYLY-UHFFFAOYSA-N

ID: 140501

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)=C)CCC(C1)C(CCCC(C)=C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -15.488

InChIKey:
KPIRLJHYTNNOKO-UHFFFAOYSA-N

ID: 140502

SMILES:
C1(CO)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 140503

SMILES:
c1(O)c(CCCCC)cc2c(c1)C1C(C(=C)C)CCC(C)=C1c1cc(O)ccc1OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -13.888

InChIKey:
HVQQOOBVNXYSIH-UHFFFAOYSA-N

ID: 140504

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 140505

SMILES:
c1c(O)ccc(C2C=C(CCC=C(C)C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.239

InChIKey:
RAPYWLIWYRCGOW-UHFFFAOYSA-N

ID: 140506

SMILES:
C1(C)=CC2C(CC1(C)O)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.795

InChIKey:
JXBBGQQBHSZCIM-UHFFFAOYSA-N

ID: 140507

SMILES:
c1c(C#CC(C=O)C)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.421

CB1 binding score: -14.738

InChIKey:
BGWDVSHVTVFCEE-UHFFFAOYSA-N

ID: 140508

SMILES:
CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 140509

SMILES:
C1C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.311

InChIKey:
DKJVHSOAQAXREU-UHFFFAOYSA-N

ID: 140510

SMILES:
CC1(C)C2C1c1c(cc(CCCCC)cc1OC(C)=O)OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.633

InChIKey:
WZTSLWNXPZFBDF-UHFFFAOYSA-N

ID: 140511

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties