Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7361
- Core Entity Id
- 11364
- Source Entity Count
- 1
- Preferred Name
- 6,7-dimethoxy-coumarin-8-hydroxy
- Name En
- Pubchem Id
- 60201876
- Smiles Canonical
- CC(C1C(O1)C=C(C)C)C(COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
- Molecular Formula
- C21H26O7
- Molecular Weight
- 390.4320
- Inchikey
- INDVJVFRQZLXKM-XJOINEQPSA-N
- Inchi
- InChI=1S/C21H26O7/c1-11(2)8-16-18(27-16)12(3)14(22)10-26-20-15(24-4)9-13-6-7-17(23)28-19(13)21(20)25-5/h6-9,12,14,16,18,22H,10H2,1-5H3/t12-,14+,16+,18+/m1/s1
- Isomeric Smiles
- C[C@@H]([C@H]1[C@@H](O1)C=C(C)C)[C@H](COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9196
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7-dimethoxy-coumarin-8-hydroxy
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7-dimethoxy-coumarin-8-hydroxy
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7-dimethoxy-coumarin-8-hydroxy
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-((2R,3R)-2-hydroxy-3-((2S,3S)-3-(2-methylprop-1-enyl)oxiran-2-yl)butoxy)-6,8-dimethoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-((2R,3R)-2-hydroxy-3-((2S,3S)-3-(2-methylprop-1-enyl)oxiran-2-yl)butoxy)-6,8-dimethoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Altissimacoumarin F
Role
alias
Source
HERB_v2
Preferred
No
Name
Altissimacoumarin F
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2071528
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2071528
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-((2R,3R)-2-hydroxy-3-((2S,3S)-3-(2-methylprop-1-enyl)oxiran-2-yl)butoxy)-6,8-dimethoxychromen-2-oneAltissimacoumarin FCHEMBL2071528
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012081
Npass
NPC138212
Tcmid
41945
Pub Chem
60201876
Tcmbank
TCMBANKIN025674
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O7/c1-11(2)8-16-18(27-16)12(3)14(22)10-26-20-15(24-4)9-13-6-7-17(23)28-19(13)21(20)25-5/h6-9,12,14,16,18,22H,10H2,1-5H3/t12-,14+,16+,18+/m1/s1
Mol Wt
390.4320000000002
Smiles
CC(C1C(O1)C=C(C)C)C(COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
Mol Log P
2.919600000000001
In Ch Ikey
INDVJVFRQZLXKM-XJOINEQPSA-N
Num Hdonors
1
Drug Likeness
0.421
Num Hacceptors
7
Isomeric Smiles
C[C@@H]([C@H]1[C@@H](O1)C=C(C)C)[C@H](COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
Canonical Smiles
CC(C1C(O1)C=C(C)C)C(COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O
Herb Alias Names
Altissimacoumarin F7-((2R,3R)-2-hydroxy-3-((2S,3S)-3-(2-methylprop-1-enyl)oxiran-2-yl)butoxy)-6,8-dimethoxychromen-2-one7-[(2R,3R)-2-hydroxy-3-[(2S,3S)-3-(2-methylprop-1-enyl)oxiran-2-yl]butoxy]-6,8-dimethoxychromen-2-oneCHEMBL2071528
Molecular Formula
C21H26O7
Molecular Formula
C21H26O7
Num Rotatable Bonds
8