Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7098
- Core Entity Id
- 11071
- Source Entity Count
- 1
- Preferred Name
- 5-methoxy-trans-dihydrodehydrodiconiferylalcohol
- Name En
- Pubchem Id
- 56838440
- Smiles Canonical
- COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO
- Molecular Formula
- C21H26O7
- Molecular Weight
- 390.4320
- Inchikey
- FVHJOQIXLMDURD-MGPUTAFESA-N
- Inchi
- InChI=1S/C21H26O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h7-10,15,20,22-24H,4-6,11H2,1-3H3/t15-,20+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO
- Cas Id
- Ob Score
- Mol Logp
- 2.5525
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methoxy-trans-dihydrodehydrodiconiferylalcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-methoxy-trans-dihydrodehydrodiconiferylalcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-methoxy-trans-dihydrodehydrodiconiferylalcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011778
Npass
NPC202826
Tcmid
13900
Pub Chem
56838440
Tcmbank
TCMBANKIN007422
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h7-10,15,20,22-24H,4-6,11H2,1-3H3/t15-,20+/m0/s1
Mol Wt
390.4320000000002
Smiles
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO
Mol Log P
2.552500000000002
In Ch Ikey
FVHJOQIXLMDURD-MGPUTAFESA-N
Num Hdonors
3
Drug Likeness
0.637
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO
Canonical Smiles
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO
Molecular Weight
390.4 g/mol
Molecular Formula
C21H26O7
Molecular Formula
C21H26O7
Num Rotatable Bonds
8