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Molecule Identifiers
Molecular Properties

ID: 134275

SMILES:
c1cc(O)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 134276

SMILES:
c1(OC)c2c(c3c(c1)OC(C)(C)C(O)C3)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.726

InChIKey:
OWGZBFBDDYXMPV-UHFFFAOYSA-N

ID: 134277

SMILES:
C(C1CC(C)=CC(c2c(O)c(C(C)(CCC)CC)c(C3C=C(C)CCC3C(O)(C)C)c(O)c2)O1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.693

CB1 binding score: -13.367

InChIKey:
GFDXYIFOAMVNSL-UHFFFAOYSA-N

ID: 134278

SMILES:
C(O)C(c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.555

CB1 binding score: -13.58

InChIKey:
OQBTWRTZLJKJPX-UHFFFAOYSA-N

ID: 134279

SMILES:
CC(O)(C)C1C2c3c(O)c(C(=O)O)c(CCC)cc3OC(C(C)(C)O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.465

CB1 binding score: -15.17

InChIKey:
JKWMPQCDFAWDIM-UHFFFAOYSA-N

ID: 134280

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.658

CB1 binding score: -16.784

InChIKey:
QMNWQWHTTOSKNE-UHFFFAOYSA-N

ID: 134281

SMILES:
Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 134282

SMILES:
C12(C)C(O1)Oc1cc(CO)c(C#C)c(O)c1C1C=CC2C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.392

CB1 binding score: -12.769

InChIKey:
OHNCTKHBIXYSFO-UHFFFAOYSA-N

ID: 134283

SMILES:
CC1=CCC(C(C)C)=CC1(O)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.719

InChIKey:
TVBAXFLIWVSBBF-UHFFFAOYSA-N

ID: 134284

SMILES:
CCC(Cc1cc(O)c(O)c(C2C=C(C)CCC2C(=C)C)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.113

InChIKey:
QRBNMTUFXPKKNH-UHFFFAOYSA-N

ID: 134285

SMILES:
C1(C(=O)O)=CC2C(CC1)c1c(cc(CC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.786

InChIKey:
HDVHQEWWAURGIG-UHFFFAOYSA-N

ID: 134286

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 134287

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134288

SMILES:
O(c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 134289

SMILES:
C1(CO)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.9

InChIKey:
UWBCYGUAEGZJRC-UHFFFAOYSA-N

ID: 134290

SMILES:
C12(C)CC(OC)C(=C(C(=O)O)C)C(CC(=O)C)C1c1c(cc(CCCCC)cc1O)OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -13.988

InChIKey:
JTRFZQKFIKNYHL-UHFFFAOYSA-N

ID: 134291

SMILES:
O=C1CC(C)C2(C(C(=C)C)C1)Oc1c(c(O)cc(O)c1C(C(CCCCC)=O)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.221

InChIKey:
CNQPTZHFMVGICQ-UHFFFAOYSA-N

ID: 134292

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CC=CC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.469

InChIKey:
XXJYMNDYKPSPEW-UHFFFAOYSA-N

ID: 134293

SMILES:
C=C1C2CCC3(C)Oc4cc(CCCCC)cc(O)c4C3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -14.472

InChIKey:
KVUDCYFDHUCMDS-UHFFFAOYSA-N

ID: 134294

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 134295

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C)(C)C3C(C(C)CC3)C1=CC(C)=C2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.654

CB1 binding score: -16.035

InChIKey:
LRAMBIQXQKQZFV-UHFFFAOYSA-N

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134275–134295 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