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Molecule Identifiers
Molecular Properties

ID: 110503

SMILES:
C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 110504

SMILES:
Oc1c(CC=C(C)CCCC(C)CC2(OC)C(=C(C)CO)CCC(C)C2)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.791

CB1 binding score: -13.212

InChIKey:
JEZYHWBRPILDDF-UHFFFAOYSA-N

ID: 110505

SMILES:
C(CC1C2C(c3c(O)cc4c(c3C(=O)O)OC(C)(C)C3CC3C2(C)C4)o1)CC1(C)OC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.551

CB1 binding score: -13.031

InChIKey:
AWEPYDDIVMRPHE-UHFFFAOYSA-N

ID: 110506

SMILES:
COc1c(OC)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -19.512

InChIKey:
XSVIAZSLVNZZSQ-UHFFFAOYSA-N

ID: 110507

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 110508

SMILES:
c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.522

InChIKey:
MFVPLWAEUTVRGF-UHFFFAOYSA-N

ID: 110509

SMILES:
c1(C)cc(O)c(CC=C(CCCC(C(=O)O)CCC=C(C)C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.929

InChIKey:
PXQHEWLSSAWGAN-UHFFFAOYSA-N

ID: 110510

SMILES:
C12(C)Oc3c(cc(CCC)cc3O)CC1(C)CCC2C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.355

InChIKey:
DHFFYUFEULUNNQ-UHFFFAOYSA-N

ID: 110511

SMILES:
O=C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.712

InChIKey:
KLEFSJWTWSAINW-UHFFFAOYSA-N

ID: 110512

SMILES:
C(C1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.748

InChIKey:
MSFQJCWLUOJTPP-UHFFFAOYSA-N

ID: 110513

SMILES:
C(O)C1C(O)C(O)C(O)C(Oc2cc3c(cc2CCCCC)OC(C)(C)C2C3CC(C(O)=O)=CC2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.592

CB1 binding score: -17.697

InChIKey:
OGXIYQWSWZMMKA-UHFFFAOYSA-N

ID: 110514

SMILES:
O=C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.771

InChIKey:
VGSHJKOXKGYENI-UHFFFAOYSA-N

ID: 110515

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)C(OC3OC(CO)C(O)C(O)C3O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.69

CB1 binding score: -15.706

InChIKey:
RQCJPWVVJRGOCS-UHFFFAOYSA-N

ID: 110516

SMILES:
CC(=O)c1c(O)c2c(c(O)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.714

InChIKey:
JOKIWAGKJUFCKF-UHFFFAOYSA-N

ID: 110517

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(=C)C(O)OC1(C)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.166

InChIKey:
YAOFWJXOJNSKNL-UHFFFAOYSA-N

ID: 110518

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 110519

SMILES:
C1=C(C(O)=O)C(=O)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -16.373

InChIKey:
OOEHMONBEDGNBP-UHFFFAOYSA-N

ID: 110520

SMILES:
C1C(C)(C)C2Oc3cc(CCCCC)cc(O)c3C2C2C1C(C(O)C(C)C)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -15.91

InChIKey:
DLCDOTZRWZQNII-UHFFFAOYSA-N

ID: 110521

SMILES:
C=C(C)C1C(c2c(O)cc(OC)cc2CC=C(C)C)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.081

InChIKey:
HZRVUTLZHRSKCL-UHFFFAOYSA-N

ID: 110522

SMILES:
O=C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 110523

SMILES:
c1c(CCCCC)cc(O)c2c1OC(C)(CCC=C(CCC(C(C)(C)O)O)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -17.792

InChIKey:
IYHHISBMYUVEMX-UHFFFAOYSA-N

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110503–110523 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