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Molecule Identifiers
Molecular Properties

ID: 103363

SMILES:
C(CCC(C)=CCCC(=CC(CC(C)C)OO)C)#CC(=CCc1cc(OC)c(O)c(OC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -15.085

InChIKey:
XGKYTUALQHFSBJ-UHFFFAOYSA-N

ID: 103364

SMILES:
C1CC(C)C2(C(=C(C)C)C1=O)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.041

InChIKey:
VTRUZSRIVSTCGJ-UHFFFAOYSA-N

ID: 103365

SMILES:
c1(C2C(C(C)(O)C)CCC(C)=C2)c(O)cc(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.637

InChIKey:
CHUDUQRJNYLFSG-UHFFFAOYSA-N

ID: 103366

SMILES:
C(=C(C)C)COc1cc(CCCCC)cc(O)c1C(=O)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.676

InChIKey:
BUAUDSRVZOUOEW-UHFFFAOYSA-N

ID: 103367

SMILES:
C1=C(C)CCC2(O)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.015

InChIKey:
XPWRDDRLUYECGC-UHFFFAOYSA-N

ID: 103368

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C(=C)C)OC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.12

InChIKey:
XBQTZUROGHBNQJ-UHFFFAOYSA-N

ID: 103369

SMILES:
CC1(C)C2CCC(C)C(O)C2c2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.23

InChIKey:
HMUKTCSXRGGZHP-UHFFFAOYSA-N

ID: 103370

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CCC(C)(O)C1)c1cc(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -16.972

InChIKey:
SKZWWJSHSBHOHR-UHFFFAOYSA-N

ID: 103371

SMILES:
CC(C)=CC1CC(C)C2CCC(C=O)=CC2c2c(O)cc(CCCCCCCO)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -15.05

InChIKey:
UYTWZHJYJHGPJU-UHFFFAOYSA-N

ID: 103372

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)CCC=C(C)C)CCC1(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -17.127

InChIKey:
YHHMUKLOCBILCG-UHFFFAOYSA-N

ID: 103373

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.385

InChIKey:
OEVTYBFIRUAXCM-UHFFFAOYSA-N

ID: 103374

SMILES:
C12C(C)(C3(C(C)CC1)Oc1cc(CCCCC)cc(OC)c1C3)CC(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -13.357

InChIKey:
DXWRBMVVKFYYKB-UHFFFAOYSA-N

ID: 103375

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 103376

SMILES:
C(=CCc1c2c(c(O)c(C(=O)C(C)C)c1O)OC(C)(C)C1CCC(C)=CC12)CCC([CH])=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -13.145

InChIKey:
RUTJHLYWHAWZQU-UHFFFAOYSA-N

ID: 103377

SMILES:
C1(c2c(O)cc(CCCCC)cc2)CC=C(CCC=C(C)C)C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.441

InChIKey:
GIWUXBRHHZAVCG-UHFFFAOYSA-N

ID: 103378

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC3C(C)(CCC1C(C)(C)O2)CC3=O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -15.617

InChIKey:
MVZFHTNRVJLAEM-UHFFFAOYSA-N

ID: 103379

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC(=O)O)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.653

InChIKey:
BAUFCAQNSLPYGF-UHFFFAOYSA-N

ID: 103380

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.616

InChIKey:
XADHVNDJRGVZCL-UHFFFAOYSA-N

ID: 103381

SMILES:
C(OCc1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)cc1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.641

InChIKey:
WUDJXQZHVIPPJL-UHFFFAOYSA-N

ID: 103382

SMILES:
c1c(O)c2c(cc1CCCCC)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: 103383

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.188

InChIKey:
GGHRHCGOMWNLCE-UHFFFAOYSA-N

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103363–103383 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