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Molecule Identifiers
Molecular Properties

ID: 105652

SMILES:
c1(CC=C(C)C)c(O)cc2c(c1OC)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.99

InChIKey:
QYLWPRZXBYFIAM-UHFFFAOYSA-N

ID: 105653

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C(CCC(C)=CCCC(=CCO)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: Not available

InChIKey:
DLUNSPNIAWOCCL-UHFFFAOYSA-N

ID: 105654

SMILES:
C12C(C)(CCC1C(C)(O)C)Oc1c2c(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.39

InChIKey:
IFUOSFLWAIXFEH-UHFFFAOYSA-N

ID: 105655

SMILES:
C(C(CCC(C)C)c1c(O)cc(CCCCC)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -14.931

InChIKey:
FGUVKBQCKBPUHJ-UHFFFAOYSA-N

ID: 105656

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.045

InChIKey:
KSTHDIZKOSHAQF-UHFFFAOYSA-N

ID: 105657

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)(=N)N

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.429

CB1 binding score: -15.639

InChIKey:
KOQADPXEHCYYNY-UHFFFAOYSA-N

ID: 105658

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 105659

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 105660

SMILES:
O1C2(C)OC(=C1)C1=CCC3C(C1CC(O)C2=C)C(=O)OC3(CC(CCCC)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -12.053

InChIKey:
VKUIDHWSFSXFSV-UHFFFAOYSA-N

ID: 105661

SMILES:
C(CC)CCc1cc2c(cc1)OC(C)(C)C1CC=C(C(=O)O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.605

InChIKey:
KOPXXRLBIUJWDA-UHFFFAOYSA-N

ID: 105662

SMILES:
C1(C)(C)CC(O)CC2(C)Oc3c(c(O)cc(C(C)C(CC)C)c3)C3C(C2=C1C)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.776

InChIKey:
KLZCBEYZKFWCEX-UHFFFAOYSA-N

ID: 105663

SMILES:
Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 105664

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)(O2)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 105665

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C(=C)C=O)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.069

InChIKey:
QZVBEFCGOSOSQD-UHFFFAOYSA-N

ID: 105666

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 105667

SMILES:
C(C1CCC(C)=CC1Cc1cc(CCC(CC)O)cc(O)c1)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.047

InChIKey:
IZVZRZAFRGMMNE-UHFFFAOYSA-N

ID: 105668

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 105669

SMILES:
CC(=CCC1CC2C(C)(C)Oc3cc(C)c(C(=O)O)c(O)c3C2C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 344.451

CB1 binding score: -14.798

InChIKey:
VRCZFZZAKMRFDJ-UHFFFAOYSA-N

ID: 105670

SMILES:
CC(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C(=O)C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.286

InChIKey:
JLLFAJRWROMAAJ-UHFFFAOYSA-N

ID: 105671

SMILES:
CC(C(=O)CCC1(C)C2(C)C3C2C(C(C)(C)Oc2cc(CCCCC)cc(OC)c23)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.695

CB1 binding score: -17.334

InChIKey:
LVUOQUNNSYUHDU-UHFFFAOYSA-N

ID: 105672

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -18.451

InChIKey:
YKQFRQCMTDTORX-UHFFFAOYSA-N

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105652–105672 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