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Molecule Identifiers
Molecular Properties

ID: 140659

SMILES:
CC(=C)C1CCC(C)=CC1c1c(O)cc(CO)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.161

InChIKey:
RSZMEZRIWSPRIJ-UHFFFAOYSA-N

ID: 140660

SMILES:
C1CC2(C)Oc3c(O)c(O)cc(CCCCC)c3C2CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.048

InChIKey:
CVHYJLXMYBTUSZ-UHFFFAOYSA-N

ID: 140661

SMILES:
C12C(C)(C=CC1C(C)C)Oc1cc(C)c(CCCCC)cc1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.244

InChIKey:
CFSPRAULZIDGTA-UHFFFAOYSA-N

ID: 140662

SMILES:
C(CCC)Cc1cc(O)c(C2OC(C)(CCC=C(C)C)C(C)CC2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -14.821

InChIKey:
QWXXEFSIVAXZFV-UHFFFAOYSA-N

ID: 140663

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140664

SMILES:
c1c(CCCC(=C)C(CC=C(C)CCC=C(C)C)=CCc2c(O)cc(C)cc2O)cccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.658

CB1 binding score: -15.499

InChIKey:
KNVSWPGVEWHGAS-UHFFFAOYSA-N

ID: 140665

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.32

InChIKey:
WWYMYGIVLCKTBL-UHFFFAOYSA-N

ID: 140666

SMILES:
Clc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 415.017

CB1 binding score: -14.563

InChIKey:
JMMGIERQHBZIAG-UHFFFAOYSA-N

ID: 140667

SMILES:
C12C3C1(C)Oc1cc(CCCCC)cc(O)c1C3C(C(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.097

InChIKey:
KRKVDVBBFPXAGM-UHFFFAOYSA-N

ID: 140668

SMILES:
C(=C(C)C)CCC1=CC(OC)(OC)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.697

InChIKey:
XIGSBAUZOBRFPV-UHFFFAOYSA-N

ID: 140669

SMILES:
C(C1CCC2(C)Oc3cc(C)cc(OC(=O)C)c3C1C=C2C(C)C)(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -13.661

InChIKey:
PNFYQMALMVYHLY-UHFFFAOYSA-N

ID: 140670

SMILES:
O=C(c1c(CCC)cc(O)c(CC=C(CCC=C(C)C)C)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.435

InChIKey:
HAHGDFVVNDLBCD-UHFFFAOYSA-N

ID: 140671

SMILES:
CC(CCCC1(C)OC(C)(C)C=CC1)=CCc1cc(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.9

InChIKey:
GOJLETSUUPJHCT-UHFFFAOYSA-N

ID: 140672

SMILES:
C1(OO)=Cc2c(cc(CCCCC)cc2O)OC1(C)CCC1C(C)(C)CCCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -17.894

InChIKey:
TXDYTNBHEAHKLY-UHFFFAOYSA-N

ID: 140673

SMILES:
Oc1c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 140674

SMILES:
c12cc(O)ccc1OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 140675

SMILES:
C1C(=O)OC(C)(C)C1CCC(=CCc1cc(OC)cc(C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.294

InChIKey:
IPXQSYRHWQZNJT-UHFFFAOYSA-N

ID: 140676

SMILES:
c1c2c(cc(O)c1OC)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.725

InChIKey:
DFKRODPVBXERME-UHFFFAOYSA-N

ID: 140677

SMILES:
O(P(OC)(=S)OC)C(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.445

CB1 binding score: -17.937

InChIKey:
DPWMUYDOYVMULU-UHFFFAOYSA-N

ID: 140678

SMILES:
C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140679

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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140659–140679 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