Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10530
- Core Entity Id
- 14866
- Source Entity Count
- 1
- Preferred Name
- Altissimacouniarin d
- Name En
- Pubchem Id
- 60201874
- Smiles Canonical
- CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C
- Molecular Formula
- C21H26O5
- Molecular Weight
- 358.4340
- Inchikey
- GEBSUJHFARTCMC-RVDMUPIBSA-N
- Inchi
- InChI=1S/C21H26O5/c1-14(2)7-6-8-15(3)11-12-25-20-17(23-4)13-16-9-10-18(22)26-19(16)21(20)24-5/h7,9-11,13H,6,8,12H2,1-5H3/b15-11+
- Isomeric Smiles
- CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8817
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Altissimacouniarin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Altissimacouniarin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
altissimacouniarin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-((2E)-3,7-dimethylocta-2,6-dienoxy)-6,8-dimethoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-((2E)-3,7-dimethylocta-2,6-dienoxy)-6,8-dimethoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Altissimacoumarin D
Role
alias
Source
itcmdb_public
Preferred
No
Name
Altissimacoumarin D
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50421799
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50421799
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2071526
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2071526
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-((2E)-3,7-dimethylocta-2,6-dienoxy)-6,8-dimethoxychromen-2-oneAltissimacoumarin DBDBM50421799CHEMBL2071526
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015782
Npass
NPC233018
Tcmid
34522
Pub Chem
60201874
Tcmbank
TCMBANKIN025946
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O5/c1-14(2)7-6-8-15(3)11-12-25-20-17(23-4)13-16-9-10-18(22)26-19(16)21(20)24-5/h7,9-11,13H,6,8,12H2,1-5H3/b15-11+
Mol Wt
358.4340000000001
Smiles
CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C
Mol Log P
4.881700000000006
In Ch Ikey
GEBSUJHFARTCMC-RVDMUPIBSA-N
Num Hdonors
0
Drug Likeness
0.497
Num Hacceptors
5
Isomeric Smiles
CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)/C)C
Canonical Smiles
CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C
Herb Alias Names
Altissimacoumarin D7-((2E)-3,7-dimethylocta-2,6-dienoxy)-6,8-dimethoxychromen-2-one7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6,8-dimethoxychromen-2-oneCHEMBL2071526BDBM50421799
Molecular Formula
C21H26O5
Molecular Formula
C21H26O5
Num Rotatable Bonds
8