Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20855
- Core Entity Id
- 26363
- Source Entity Count
- 1
- Preferred Name
- Gymconopin c
- Name En
- Pubchem Id
- 11465808
- Smiles Canonical
- COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O
- Molecular Formula
- C30H26O6
- Molecular Weight
- 482.5320
- Inchikey
- HQFURZDOSPYSTB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H26O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.7244
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gymconopin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gymconopin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gymconopin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gymconopin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
手掌参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHOU ZHANG SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Conic Gymnadenia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
844493-85-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
844493-85-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3916662
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3916662
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0373352
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0373352
Role
alias
Source
itcmdb_public
Preferred
No
Name
D85197
Role
alias
Source
itcmdb_public
Preferred
No
Name
D85197
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-73968
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-73968
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N10279
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10279
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
手掌参SHOU ZHANG SHENConic Gymnadenia3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol844493-85-2CHEMBL3916662CS-0373352D85197DA-73968HY-N10279
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028571
Npass
NPC31342
Tcmid
9100
Pub Chem
11465808
Tcmbank
TCMBANKIN047810
Etcm Ingredient
Gymconopin C
Itcmdb Generated
ITX-INGREDIENT-B20BBEB2A45C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H26O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3
Mol Wt
482.5320000000003
Mol Log P
5.724400000000007
In Ch Ikey
HQFURZDOSPYSTB-UHFFFAOYSA-N
Tcm Name
手掌参
Tcm Name2
SHOU ZHANG SHEN
Mol2 Path
/TCM_database/2007_3d_all/09101.mol2
Reference
5022
Num Hdonors
4
Tcm Name En
Conic Gymnadenia
Drug Likeness
0.298
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O
Canonical Smiles
COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O
Herb Alias Names
844493-85-2CHEMBL3916662HY-N102793-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diolDA-73968CS-0373352D85197
Molecular Weight
482.170
Molecular Formula
C30H26O6
Molecular Formula
C30H26O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.951
Quantitative Estimate Of Drug Likeness（Qed）
0.298