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Molecule Identifiers
Molecular Properties

ID: 92632

SMILES:
C1(CC(=CCc2c(O)c(C)cc(OC)c2)C)C(C)(C)C2C(O1)C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.415

InChIKey:
PZIINEHTCSCBSU-UHFFFAOYSA-N

ID: 92633

SMILES:
c12cc(CC=C)ccc1OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.4

CB1 binding score: -17.053

InChIKey:
FUJBOERHOKAQFS-UHFFFAOYSA-N

ID: 92634

SMILES:
C(=C(C)C)CCC1(C)Oc2cc(CCCCC)cc(OC)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.06

InChIKey:
KSDSETBZUIJIFF-UHFFFAOYSA-N

ID: 92635

SMILES:
C1(C)C2C(c3c(O)cc(CCCC)cc3O1)OC(C=CC=C(C)C)C2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.782

InChIKey:
PXRAEWVRKPPWIV-UHFFFAOYSA-N

ID: 92636

SMILES:
c1(C)c(CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.218

InChIKey:
CNCURDLLOPZUIO-UHFFFAOYSA-N

ID: 92637

SMILES:
C1(C)(CCCC(C)C)Oc2cc(C)c(OC)cc2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.63

InChIKey:
WNTTZVMDOSWZTN-UHFFFAOYSA-N

ID: 92638

SMILES:
c1(C=O)cc(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -18.089

InChIKey:
NDGQQJSQRFKRAW-UHFFFAOYSA-N

ID: 92639

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 92640

SMILES:
C(C=C(C)C)CC(=CCc1c(O)c2c(c(C(CC)OC(=O)C)c1O)OC(C)(C)C=C2)CC1C=C(C)C(O)CC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 578.79

CB1 binding score: -16.212

InChIKey:
RUBYCIWLYXVGTN-UHFFFAOYSA-N

ID: 92641

SMILES:
O1C(C(=O)C)C(c2c3c(cc(O)c2O)OC(C)(C)C2C3CC(C)=CC2)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.428

CB1 binding score: Not available

InChIKey:
LZURAJFDTUZESE-UHFFFAOYSA-N

ID: 92642

SMILES:
c1c(OCCCC)cc(OC)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.859

InChIKey:
IFQISZZLDDMHCU-UHFFFAOYSA-N

ID: 92643

SMILES:
C(CC1C(C)(C)Oc2cc(CCC=C)cc(O)c21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.612

InChIKey:
PYKYGMXUSBCJOP-UHFFFAOYSA-N

ID: 92644

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCc1cc(OC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -15.897

InChIKey:
YSFBNKUAVFPVAN-UHFFFAOYSA-N

ID: 92645

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 92646

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -15.957

InChIKey:
UDIKPLJCOALWRC-UHFFFAOYSA-N

ID: 92647

SMILES:
C(CCCCC1(C)CCC(C(C)(O)C)C(=O)C1)c1cc(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.08

InChIKey:
YMCMKXAAOVKZAT-UHFFFAOYSA-N

ID: 92648

SMILES:
O1C(CC2(C)Oc3c(C)cc(OC)cc3C=C2)CC(C)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -14.385

InChIKey:
JPXDYDANPZPVQI-UHFFFAOYSA-N

ID: 92649

SMILES:
Cc1cc(Oc2cc(C)c(CCCC(C)=C)c(O)c2O)c2c(c1)OC(C)(C)C1CCC(C)C(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -13.624

InChIKey:
BADBJCZAKJXXDD-UHFFFAOYSA-N

ID: 92650

SMILES:
C(C1CC(C(C)C)C(c2c(O)cc(CCCC)cc2)C=C1C)CC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.673

InChIKey:
BSXYSCHTWLYLJV-UHFFFAOYSA-N

ID: 92651

SMILES:
c1(CCCCCC)ccc2c(c1C)OC(C)(C)C(=O)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.578

InChIKey:
NYOYGOIKPYGFMN-UHFFFAOYSA-N

ID: 92652

SMILES:
Cc1cc2c(c(OC)c1)C1C(CC(C(=C)C)C1(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -13.075

InChIKey:
PRBYQHDTJSMCPV-UHFFFAOYSA-N

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92632–92652 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