Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8849
- Core Entity Id
- 13003
- Source Entity Count
- 1
- Preferred Name
- 8-geranoxy-5-methoxypsoralen
- Name En
- Pubchem Id
- 6442182
- Smiles Canonical
- CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C
- Molecular Formula
- C22H24O5
- Molecular Weight
- 368.4600
- Inchikey
- CTPXXQMJFXTTQZ-XNTDXEJSSA-N
- Inchi
- InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
- Isomeric Smiles
- Cas Id
- Ob Score
- 40.9700
- Mol Logp
- 5.6000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 57.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Geranoxy-5-Methoxypsoralen
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Geranoxy-5-Methoxypsoralen
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-geranoxy-5-methoxypsoralen
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-geranoxy-5-methoxypsoralen
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-geranoxy-5-methoxypsoralen
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-geranoxy-5-methoxypsoralen
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013732
Tcmsp
MOL011963
Sym Map
SMIT12790
Tcmbank
TCMBANKIN024297
Etcm Ingredient
8-geranoxy-5-methoxypsoralen
Itcmdb Generated
ITX-INGREDIENT-336347F2C28C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
40.9740.9703807540.970381
Suppress
0
Molecule Weight
368.46
Molecular Weight
368.160
Molecular Weight
368.46
Molecular Formula
C22H24O5
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.400