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Molecule Identifiers
Molecular Properties

ID: 46285

SMILES:
O1C(=O)C(CN(C)C)C2C(=CCC3(C)C(c4c(ccc(OC)c4)O3)C=C(C)C(O)CCC(COC(=O)C)=C2)C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 583.722

CB1 binding score: Not available

InChIKey:
UUZINTHERRFJME-UHFFFAOYSA-N

ID: 46286

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(c3)CC=C(C)CCC=C(C)C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.476

InChIKey:
FFRZSPNNNZSMTH-UHFFFAOYSA-N

ID: 46287

SMILES:
CC(=CCCC(C)CC(CC(C)=CCc1c(O)c(C)cc(O)c1)O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.033

InChIKey:
YZFOPFXISIEBBH-UHFFFAOYSA-N

ID: 46288

SMILES:
C(CCCCCCCCCCCCC(=O)OCc1c(C(C(CC)C)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 626.875

CB1 binding score: -14.023

InChIKey:
YBRACBHGRWJWMQ-UHFFFAOYSA-N

ID: 46289

SMILES:
NCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.403

CB1 binding score: -17.389

InChIKey:
BVHMEFPBGFRZKO-UHFFFAOYSA-N

ID: 46290

SMILES:
C1(C=O)=CC2c3c(OC)cc(CCCC)cc3OC(C)(C)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.242

InChIKey:
SNQDLLOJJIPBTA-UHFFFAOYSA-N

ID: 46291

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1c1c(cc2)OCO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -15.587

InChIKey:
YPJRYSUBEDVAOE-UHFFFAOYSA-N

ID: 46292

SMILES:
C1C2(OC)C=C(C)C(=O)CC2C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -12.948

InChIKey:
JXKLKYIPDZDOSU-UHFFFAOYSA-N

ID: 46293

SMILES:
C(=CCCC1(C)Oc2c(C)cc(OC)cc2C=C1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.771

InChIKey:
WXPWCJNZKCNIGT-UHFFFAOYSA-N

ID: 46294

SMILES:
C12C=C(C=O)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 46295

SMILES:
C(OC(=O)CCCC)(c1cc2c(c(O)c1)CC1(O2)C(C)(C)CC(=O)C=C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -13.764

InChIKey:
HBDWPMXDMMQLIZ-UHFFFAOYSA-N

ID: 46296

SMILES:
C1(C(C)=C)CCC(CO)=CC1c1c(OC)cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -13.881

InChIKey:
WAPIHXBQLOQEDM-UHFFFAOYSA-N

ID: 46297

SMILES:
C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.274

InChIKey:
NKVXDLUYNQVIMY-UHFFFAOYSA-N

ID: 46298

SMILES:
OC12C(C(CO)=CC3(O)c4c(cc(CCCCC)cc4O)OC3(C)C1)C(C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -13.72

InChIKey:
ZMMDYYCQQDUEML-UHFFFAOYSA-N

ID: 46299

SMILES:
C12C(CC(O)C(C)=C1)C(C)(C)Oc1cc(CBr)c(C(C)CCC=C(C)C)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 447.457

CB1 binding score: -13.059

InChIKey:
BRIBYTNTHZFGDM-UHFFFAOYSA-N

ID: 46300

SMILES:
c1(-c2c3c(c(O)cc2)OC(C)(CCC=C(C)C)C(O)C3)cc(O)c(C=O)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -16.251

InChIKey:
SQEKZIYPMCIYGV-UHFFFAOYSA-N

ID: 46301

SMILES:
CC(C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 46302

SMILES:
C12CCCC(=O)C1(C)c1c(cc(CCCCC)cc1O)OC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.817

InChIKey:
LTNWDNBNSWVEKZ-UHFFFAOYSA-N

ID: 46303

SMILES:
C(c1c(O)cc(CCCCC)c(C(OC(C)=O)CC(C)C)c1O)C1(C)CCC(=O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.627

CB1 binding score: -14.805

InChIKey:
MWTHNVLZRUVBCY-UHFFFAOYSA-N

ID: 46304

SMILES:
C1(=C)C2C(C(C)(C)Oc3c(C(=O)CC)c(OC)ccc32)CCC1(C)C#N

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 353.462

CB1 binding score: -14.674

InChIKey:
WQXKLIJGCHIPOL-UHFFFAOYSA-N

ID: 46305

SMILES:
CC(CC(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.451

InChIKey:
BEGABLOETSAAGV-UHFFFAOYSA-N

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46285–46305 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