Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7295
- Core Entity Id
- 11290
- Source Entity Count
- 1
- Preferred Name
- 6,14-dimethoxyforesticine
- Name En
- Pubchem Id
- 5316859
- Smiles Canonical
- CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC)COC
- Molecular Formula
- C26H43NO6
- Molecular Weight
- 465.6310
- Inchikey
- VWYQWWYODNKZAS-ZAUDRUAFSA-N
- Inchi
- InChI=1S/C26H43NO6/c1-7-27-12-24(13-29-2)9-8-17(31-4)26-15-10-14-16(30-3)11-25(28,18(15)20(14)32-5)19(23(26)27)21(33-6)22(24)26/h14-23,28H,7-13H2,1-6H3/t14?,15?,16-,17?,18?,19+,20+,21-,22?,23?,24-,25+,26?/m0/s1
- Isomeric Smiles
- CCN1C[C@@]2(CCC(C34C1[C@@H]([C@@H](C23)OC)[C@]5(C[C@@H](C6CC4C5[C@@H]6OC)OC)O)OC)COC
- Cas Id
- Ob Score
- Mol Logp
- 1.8102
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,14-Dimethoxyforesticine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6,14-dimethoxyforesticine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,14-dimethoxyforesticine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,14-dimethoxyforesticine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012005
Npass
NPC101352
Tcmid
6226
Pub Chem
5316859
Tcmbank
TCMBANKIN036299
Etcm Ingredient
6,14-Dimethoxyforesticine
Itcmdb Generated
ITX-INGREDIENT-B3429465DBFD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H43NO6/c1-7-27-12-24(13-29-2)9-8-17(31-4)26-15-10-14-16(30-3)11-25(28,18(15)20(14)32-5)19(23(26)27)21(33-6)22(24)26/h14-23,28H,7-13H2,1-6H3/t14?,15?,16-,17?,18?,19+,20+,21-,22?,23?,24-,25+,26?/m0/s1
Mol Wt
465.6310000000003
Smiles
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC)COC
Mol Log P
1.810200000000002
In Ch Ikey
VWYQWWYODNKZAS-ZAUDRUAFSA-N
Num Hdonors
1
Drug Likeness
0.615
Num Hacceptors
7
Isomeric Smiles
CCN1C[C@@]2(CCC(C34C1[C@@H]([C@@H](C23)OC)[C@]5(C[C@@H](C6CC4C5[C@@H]6OC)OC)O)OC)COC
Canonical Smiles
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC)COC
Molecular Weight
449.280
Molecular Formula
C25H39NO6
Molecular Formula
C26H43NO6
Molecular Formula
C26H43NO6
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.065
Quantitative Estimate Of Drug Likeness（Qed）
0.659