Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8269
- Core Entity Id
- 12363
- Source Entity Count
- 1
- Preferred Name
- 7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
- Name En
- Pubchem Id
- 5317233
- Smiles Canonical
- CCOC1CC2C(CCCC2(C3=C(C(=C(C=C13)C(C)C)OC)O)C)(C)C
- Molecular Formula
- C23H36O3
- Molecular Weight
- 360.5380
- Inchikey
- MGAOUXBZMKOBML-IYWNWZSTSA-N
- Inchi
- InChI=1S/C23H36O3/c1-8-26-17-13-18-22(4,5)10-9-11-23(18,6)19-16(17)12-15(14(2)3)21(25-7)20(19)24/h12,14,17-18,24H,8-11,13H2,1-7H3/t17-,18?,23-/m0/s1
- Isomeric Smiles
- CCO[C@H]1CC2[C@](CCCC2(C)C)(C3=C(C(=C(C=C13)C(C)C)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.0895
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7beta-Ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7beta-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7β-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7β-ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013102
Npass
NPC251086
Tcmid
257517409
Pub Chem
5317233
Tcmbank
TCMBANKIN050372
Etcm Ingredient
7beta-Ethoxy-12-methoxy-8,11,13-abietatrien-11-ol
Itcmdb Generated
ITX-INGREDIENT-69C0035A5837
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H36O3/c1-8-26-17-13-18-22(4,5)10-9-11-23(18,6)19-16(17)12-15(14(2)3)21(25-7)20(19)24/h12,14,17-18,24H,8-11,13H2,1-7H3/t17-,18?,23-/m0/s1
Mol Wt
360.5380000000001
Smiles
CCOC1CC2C(CCCC2(C3=C(C(=C(C=C13)C(C)C)OC)O)C)(C)C
Mol Log P
6.089500000000008
In Ch Ikey
MGAOUXBZMKOBML-IYWNWZSTSA-N
Mol2 Path
/TCM_database/2003_3d_all/2909.mol2
Reference
6
Num Hdonors
1
Drug Likeness
0.706
Num Hacceptors
3
Isomeric Smiles
CCO[C@H]1CC2[C@](CCCC2(C)C)(C3=C(C(=C(C=C13)C(C)C)OC)O)C
Canonical Smiles
CCOC1CC2C(CCCC2(C3=C(C(=C(C=C13)C(C)C)OC)O)C)(C)C
Molecular Weight
360.270
Molecular Formula
C23H36O3
Molecular Formula
C23H36O3
Molecular Formula
C23H36O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.706