Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7141
- Core Entity Id
- 11119
- Source Entity Count
- 1
- Preferred Name
- 5-methyoxymarmesin
- Name En
- Pubchem Id
- 101631666
- Smiles Canonical
- CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
- Molecular Formula
- C15H16O5
- Molecular Weight
- 276.2880
- Inchikey
- FMUVMPMZKPZWCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H16O5/c1-15(2,17)12-6-9-11(19-12)7-10-8(14(9)18-3)4-5-13(16)20-10/h4-5,7,12,17H,6H2,1-3H3
- Isomeric Smiles
- CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8760
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Methyoxymarmesin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-methyoxymarmesin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methyoxymarmesin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-methyoxymarmesin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011826
Tcmid
14811
Pub Chem
101631666
Tcmbank
TCMBANKIN046251
Etcm Ingredient
5-Methyoxymarmesin
Itcmdb Generated
ITX-INGREDIENT-B1342AFCC403
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H16O5/c1-15(2,17)12-6-9-11(19-12)7-10-8(14(9)18-3)4-5-13(16)20-10/h4-5,7,12,17H,6H2,1-3H3
Mol Wt
276.288
Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
Mol Log P
1.876
In Ch Ikey
FMUVMPMZKPZWCH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/14819.mol2
Reference
4555
Num Hdonors
1
Drug Likeness
0.848
Num Hacceptors
5
Isomeric Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
Canonical Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O
Molecular Weight
276.100
Molecular Formula
C15H16O5
Molecular Formula
C15H16O5
Molecular Formula
C15H16O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.373
Quantitative Estimate Of Drug Likeness（Qed）
0.848